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147951-44-8 | Carbamic acid, [3-(pentyloxy)phenyl]-, (1R,2R)-2-(diethylamino)cyclopentyl ester, rel- (9CI)
CAS No: 147951-44-8 Catalog No: AG001FBA MDL No:
Product Description
Catalog Number:
AG001FBA
Chemical Name:
Carbamic acid, [3-(pentyloxy)phenyl]-, (1R,2R)-2-(diethylamino)cyclopentyl ester, rel- (9CI)
CAS Number:
147951-44-8
Molecular Formula:
C21H34N2O3
Molecular Weight:
362.5063
IUPAC Name:
[2-(diethylamino)cyclopentyl] N-(3-pentoxyphenyl)carbamate
InChI:
InChI=1S/C21H34N2O3/c1-4-7-8-15-25-18-12-9-11-17(16-18)22-21(24)26-20-14-10-13-19(20)23(5-2)6-3/h9,11-12,16,19-20H,4-8,10,13-15H2,1-3H3,(H,22,24)
InChI Key:
YMAOYOXHPZIXHH-UHFFFAOYSA-N
SMILES:
CCCCCOc1cccc(c1)NC(=O)O[C@@H]1CCC[C@H]1N(CC)CC
Properties
Complexity:
401
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
362.257g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
362.514g/mol
Monoisotopic Mass:
362.257g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
50.8A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
5
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