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851814-16-9 | N-(2-Ethylphenyl)-2-piperazin-1-ylacetamide
CAS No: 851814-16-9 Catalog No: AG00IDKI MDL No:MFCD06386703
Product Description
Catalog Number:
AG00IDKI
Chemical Name:
N-(2-Ethylphenyl)-2-piperazin-1-ylacetamide
CAS Number:
851814-16-9
Molecular Formula:
C14H21N3O
Molecular Weight:
247.3360
MDL Number:
MFCD06386703
IUPAC Name:
N-(2-ethylphenyl)-2-piperazin-1-ylacetamide
InChI:
InChI=1S/C14H21N3O/c1-2-12-5-3-4-6-13(12)16-14(18)11-17-9-7-15-8-10-17/h3-6,15H,2,7-11H2,1H3,(H,16,18)
InChI Key:
UPAZJBWZWGMLTL-UHFFFAOYSA-N
SMILES:
CCc1ccccc1NC(=O)CN1CCNCC1
Properties
Complexity:
264
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
247.168g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
247.342g/mol
Monoisotopic Mass:
247.168g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
44.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
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