3-amino-N-(4-hydroxy-4-phenylbutan-2-yl)cyclopentane-1-carboxamide;hydrochloride

C16H25ClN2O2 — CID 119808297

IUPAC3-amino-N-(4-hydroxy-4-phenylbutan-2-yl)cyclopentane-1-carboxamide;hydrochloride
SMILESCC(CC(O)c1ccccc1)NC(=O)C1CCC(N)C1.Cl
InChIInChI=1S/C16H24N2O2.ClH/c1-11(9-15(19)12-5-3-2-4-6-12)18-16(20)13-7-8-14(17)10-13;/h2-6,11,13-15,19H,7-10,17H2,1H3,(H,18,20);1H
InChIKeyJTPUVKSLXORDBI-UHFFFAOYSA-N
MW312.84 g/mol
LogP2.16
Rot. Bonds5

About 3-amino-N-(4-hydroxy-4-phenylbutan-2-yl)cyclopentane-1-carboxamide;hydrochloride

3-amino-N-(4-hydroxy-4-phenylbutan-2-yl)cyclopentane-1-carboxamide;hydrochloride (PubChem CID 119808297) has the molecular formula C16H25ClN2O2 and a molecular weight of 312.84 g/mol. Its IUPAC name is 3-amino-N-(4-hydroxy-4-phenylbutan-2-yl)cyclopentane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-(4-hydroxy-4-phenylbutan-2-yl)cyclopentane-1-carboxamide;hydrochloride
PubChem CID119808297
Molecular FormulaC16H25ClN2O2
Molecular Weight312.84 g/mol
Exact Mass312.16
IUPAC Name3-amino-N-(4-hydroxy-4-phenylbutan-2-yl)cyclopentane-1-carboxamide;hydrochloride
SMILESCC(CC(O)c1ccccc1)NC(=O)C1CCC(N)C1.Cl
InChIInChI=1S/C16H24N2O2.ClH/c1-11(9-15(19)12-5-3-2-4-6-12)18-16(20)13-7-8-14(17)10-13;/h2-6,11,13-15,19H,7-10,17H2,1H3,(H,18,20);1H
InChIKeyJTPUVKSLXORDBI-UHFFFAOYSA-N
XLogP2.16
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.84
LogP ≤ 52.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-hydroxy-4-phenylbutan-2-yl)-2-methylcyclopropane-1-carboxamide
CID 71919961
3-amino-N-(2-ethyl-1-phenylbutyl)cyclopentane-1-carboxamide
CID 66007495
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(4-hydroxy-4-phenylbutan-2-yl)acetamide;hydrochloride
CID 119808311
3-amino-N-[1-(4-bromophenyl)propan-2-yl]cyclopentane-1-carboxamide;hydrochloride
CID 119734872
methyl 2-[(3-aminocyclopentanecarbonyl)amino]-3-phenylpropanoate;hydrochloride
CID 119726356
N-(4-hydroxy-4-phenylbutan-2-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 119337585
3-amino-N-[1-(3-fluorophenyl)ethyl]cyclopentane-1-carboxamide
CID 66008581
3-amino-N-[(1S)-1-pyridin-3-ylethyl]cyclopentane-1-carboxamide;dihydrochloride
CID 119863798
3-amino-N-[(1S)-1-(3-fluorophenyl)ethyl]cyclopentane-1-carboxamide
CID 81365977
3-amino-N-[2-(diethylamino)-2-phenylethyl]cyclopentane-1-carboxamide
CID 119399183
3-amino-N-[(1R)-1-(3-bromophenyl)ethyl]cyclopentane-1-carboxamide
CID 81376252
3-amino-N-(2,2-dimethyl-1-phenylpropyl)cyclohexane-1-carboxamide
CID 63043944

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(4-hydroxy-4-phenylbutan-2-yl)cyclopentane-1-carboxamide;hydrochloride?
The IUPAC name of 3-amino-N-(4-hydroxy-4-phenylbutan-2-yl)cyclopentane-1-carboxamide;hydrochloride (CID 119808297) is 3-amino-N-(4-hydroxy-4-phenylbutan-2-yl)cyclopentane-1-carboxamide;hydrochloride.
What is the SMILES notation for 3-amino-N-(4-hydroxy-4-phenylbutan-2-yl)cyclopentane-1-carboxamide;hydrochloride?
The canonical SMILES for 3-amino-N-(4-hydroxy-4-phenylbutan-2-yl)cyclopentane-1-carboxamide;hydrochloride is CC(CC(O)c1ccccc1)NC(=O)C1CCC(N)C1.Cl.
What is the InChIKey of 3-amino-N-(4-hydroxy-4-phenylbutan-2-yl)cyclopentane-1-carboxamide;hydrochloride?
The InChIKey is JTPUVKSLXORDBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2.ClH/c1-11(9-15(19)12-5-3-2-4-6-12)18-16(20)13-7-8-14(17)10-13;/h2-6,11,13-15,19H,7-10,17H2,1H3,(H,18,20);1H.
What are the key properties of 3-amino-N-(4-hydroxy-4-phenylbutan-2-yl)cyclopentane-1-carboxamide;hydrochloride?
3-amino-N-(4-hydroxy-4-phenylbutan-2-yl)cyclopentane-1-carboxamide;hydrochloride has a molecular weight of 312.84 g/mol, XLogP of 2.16, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(4-hydroxy-4-phenylbutan-2-yl)cyclopentane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119808297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).