N-[(1S,5R)-3-(3-cyclopentylpropyl)-3-azabicyclo[3.1.0]hexan-6-yl]-2-phenylacetamide

C21H30N2O — CID 166333182

IUPACN-[(1S,5R)-3-(3-cyclopentylpropyl)-3-azabicyclo[3.1.0]hexan-6-yl]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)NC1[C@H]2CN(CCCC3CCCC3)C[C@@H]12
InChIInChI=1S/C21H30N2O/c24-20(13-17-9-2-1-3-10-17)22-21-18-14-23(15-19(18)21)12-6-11-16-7-4-5-8-16/h1-3,9-10,16,18-19,21H,4-8,11-15H2,(H,22,24)/t18-,19+,21?
InChIKeyQPWPAKRISCHMLE-PMSBKCLSSA-N
MW326.48 g/mol
LogP3.25
Rot. Bonds7

About N-[(1S,5R)-3-(3-cyclopentylpropyl)-3-azabicyclo[3.1.0]hexan-6-yl]-2-phenylacetamide

N-[(1S,5R)-3-(3-cyclopentylpropyl)-3-azabicyclo[3.1.0]hexan-6-yl]-2-phenylacetamide (PubChem CID 166333182) has the molecular formula C21H30N2O and a molecular weight of 326.48 g/mol. Its IUPAC name is N-[(1S,5R)-3-(3-cyclopentylpropyl)-3-azabicyclo[3.1.0]hexan-6-yl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[(1S,5R)-3-(3-cyclopentylpropyl)-3-azabicyclo[3.1.0]hexan-6-yl]-2-phenylacetamide
PubChem CID166333182
Molecular FormulaC21H30N2O
Molecular Weight326.48 g/mol
Exact Mass326.24
IUPAC NameN-[(1S,5R)-3-(3-cyclopentylpropyl)-3-azabicyclo[3.1.0]hexan-6-yl]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)NC1[C@H]2CN(CCCC3CCCC3)C[C@@H]12
InChIInChI=1S/C21H30N2O/c24-20(13-17-9-2-1-3-10-17)22-21-18-14-23(15-19(18)21)12-6-11-16-7-4-5-8-16/h1-3,9-10,16,18-19,21H,4-8,11-15H2,(H,22,24)/t18-,19+,21?
InChIKeyQPWPAKRISCHMLE-PMSBKCLSSA-N
XLogP3.25
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.48
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-N-[(1R,5S)-3-(3-cyclopentylpropyl)-3-azabicyclo[3.1.0]hexan-6-yl]benzamide
CID 167817061
(2S)-2-cyclopentyl-2-hydroxy-2-phenyl-N-[(1S,5R)-3-(3-phenylpropyl)-3-azabicyclo[3.1.0]hexan-6-yl]acetamide
CID 91930079
2-phenyl-N-[(1S,2S)-2-[(2-phenylacetyl)amino]cyclohexyl]acetamide
CID 1011315
N-cyclopentyl-2-phenylacetamide;hydrochloride
CID 69292876
2-cyclopentyl-N-[(1R,5S)-3-heptyl-3-azabicyclo[3.1.0]hexan-6-yl]-2-hydroxy-2-phenylacetamide
CID 10476022
N-(3-butyl-3-azabicyclo[3.1.0]hexan-6-yl)-2-cyclohexyl-2-hydroxy-2-phenylacetamide
CID 10067773
N-(cycloheptylmethyl)-2-phenylacetamide
CID 54313529
N-(1-tert-butylazetidin-3-yl)-2-phenylacetamide
CID 164918158
N-[(5R)-3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl]-2-cyclopentyl-2-hydroxy-2-phenylacetamide
CID 68905775
N-cyclopropyl-2-phenylacetamide
CID 5175687
N-cyclopentyloxy-2-phenylacetamide
CID 83202949
N-(3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl)-2-cyclohexyl-2-phenylacetamide
CID 68902944

Frequently Asked Questions

What is the IUPAC name of N-[(1S,5R)-3-(3-cyclopentylpropyl)-3-azabicyclo[3.1.0]hexan-6-yl]-2-phenylacetamide?
The IUPAC name of N-[(1S,5R)-3-(3-cyclopentylpropyl)-3-azabicyclo[3.1.0]hexan-6-yl]-2-phenylacetamide (CID 166333182) is N-[(1S,5R)-3-(3-cyclopentylpropyl)-3-azabicyclo[3.1.0]hexan-6-yl]-2-phenylacetamide.
What is the SMILES notation for N-[(1S,5R)-3-(3-cyclopentylpropyl)-3-azabicyclo[3.1.0]hexan-6-yl]-2-phenylacetamide?
The canonical SMILES for N-[(1S,5R)-3-(3-cyclopentylpropyl)-3-azabicyclo[3.1.0]hexan-6-yl]-2-phenylacetamide is O=C(Cc1ccccc1)NC1[C@H]2CN(CCCC3CCCC3)C[C@@H]12.
What is the InChIKey of N-[(1S,5R)-3-(3-cyclopentylpropyl)-3-azabicyclo[3.1.0]hexan-6-yl]-2-phenylacetamide?
The InChIKey is QPWPAKRISCHMLE-PMSBKCLSSA-N. The full InChI is InChI=1S/C21H30N2O/c24-20(13-17-9-2-1-3-10-17)22-21-18-14-23(15-19(18)21)12-6-11-16-7-4-5-8-16/h1-3,9-10,16,18-19,21H,4-8,11-15H2,(H,22,24)/t18-,19+,21?.
What are the key properties of N-[(1S,5R)-3-(3-cyclopentylpropyl)-3-azabicyclo[3.1.0]hexan-6-yl]-2-phenylacetamide?
N-[(1S,5R)-3-(3-cyclopentylpropyl)-3-azabicyclo[3.1.0]hexan-6-yl]-2-phenylacetamide has a molecular weight of 326.48 g/mol, XLogP of 3.25, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,5R)-3-(3-cyclopentylpropyl)-3-azabicyclo[3.1.0]hexan-6-yl]-2-phenylacetamide is sourced from PubChem (CID 166333182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).