(1S,3R,4R)-3-amino-4-hydroxy-N-[(1-phenylcyclohexyl)methyl]cyclopentane-1-carboxamide;hydrochloride

C19H29ClN2O2 — CID 155940030

IUPAC(1S,3R,4R)-3-amino-4-hydroxy-N-[(1-phenylcyclohexyl)methyl]cyclopentane-1-carboxamide;hydrochloride
SMILESCl.N[C@@H]1C[C@H](C(=O)NCC2(c3ccccc3)CCCCC2)C[C@H]1O
InChIInChI=1S/C19H28N2O2.ClH/c20-16-11-14(12-17(16)22)18(23)21-13-19(9-5-2-6-10-19)15-7-3-1-4-8-15;/h1,3-4,7-8,14,16-17,22H,2,5-6,9-13,20H2,(H,21,23);1H/t14-,16+,17+;/m0./s1
InChIKeyRDVMQFAUGSSIQC-DYWKTHLTSA-N
MW352.91 g/mol
LogP2.52
Rot. Bonds4

About (1S,3R,4R)-3-amino-4-hydroxy-N-[(1-phenylcyclohexyl)methyl]cyclopentane-1-carboxamide;hydrochloride

(1S,3R,4R)-3-amino-4-hydroxy-N-[(1-phenylcyclohexyl)methyl]cyclopentane-1-carboxamide;hydrochloride (PubChem CID 155940030) has the molecular formula C19H29ClN2O2 and a molecular weight of 352.91 g/mol. Its IUPAC name is (1S,3R,4R)-3-amino-4-hydroxy-N-[(1-phenylcyclohexyl)methyl]cyclopentane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name(1S,3R,4R)-3-amino-4-hydroxy-N-[(1-phenylcyclohexyl)methyl]cyclopentane-1-carboxamide;hydrochloride
PubChem CID155940030
Molecular FormulaC19H29ClN2O2
Molecular Weight352.91 g/mol
Exact Mass352.19
IUPAC Name(1S,3R,4R)-3-amino-4-hydroxy-N-[(1-phenylcyclohexyl)methyl]cyclopentane-1-carboxamide;hydrochloride
SMILESCl.N[C@@H]1C[C@H](C(=O)NCC2(c3ccccc3)CCCCC2)C[C@H]1O
InChIInChI=1S/C19H28N2O2.ClH/c20-16-11-14(12-17(16)22)18(23)21-13-19(9-5-2-6-10-19)15-7-3-1-4-8-15;/h1,3-4,7-8,14,16-17,22H,2,5-6,9-13,20H2,(H,21,23);1H/t14-,16+,17+;/m0./s1
InChIKeyRDVMQFAUGSSIQC-DYWKTHLTSA-N
XLogP2.52
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.91
LogP ≤ 52.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze (1S,3R,4R)-3-amino-4-hydroxy-N-[(1-phenylcyclohexyl)methyl]cyclopentane-1-carboxamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(1-phenylcyclopentyl)methyl]cyclohexanecarboxamide
CID 18128273
3-amino-N-[(1-phenylcyclopentyl)methyl]cyclopentane-1-carboxamide
CID 119698154
N-[(1-phenylcyclohexyl)methyl]oxane-4-carboxamide
CID 51078296
3-amino-N-[(1-phenylcyclopentyl)methyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119698155
N-[(1-phenylcyclopentyl)methyl]piperidine-4-carboxamide
CID 119275845
(3S)-N-[(1-phenylcyclopentyl)methyl]oxolane-3-carboxamide
CID 95272452
N-[(1-phenylcyclobutyl)methyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119699128
3-amino-N-[(4-phenyloxan-4-yl)methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119731085
1-amino-N-[(1-phenylcyclobutyl)methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119276343
(2R)-2-amino-N-[(1-phenylcycloheptyl)methyl]propanamide;hydrochloride
CID 119316389
9-amino-N-[[1-(4-chlorophenyl)cyclopropyl]methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120988823
N-[(1-phenylcyclopentyl)methyl]pyrrolidine-2-carboxamide
CID 110481276

Frequently Asked Questions

What is the IUPAC name of (1S,3R,4R)-3-amino-4-hydroxy-N-[(1-phenylcyclohexyl)methyl]cyclopentane-1-carboxamide;hydrochloride?
The IUPAC name of (1S,3R,4R)-3-amino-4-hydroxy-N-[(1-phenylcyclohexyl)methyl]cyclopentane-1-carboxamide;hydrochloride (CID 155940030) is (1S,3R,4R)-3-amino-4-hydroxy-N-[(1-phenylcyclohexyl)methyl]cyclopentane-1-carboxamide;hydrochloride.
What is the SMILES notation for (1S,3R,4R)-3-amino-4-hydroxy-N-[(1-phenylcyclohexyl)methyl]cyclopentane-1-carboxamide;hydrochloride?
The canonical SMILES for (1S,3R,4R)-3-amino-4-hydroxy-N-[(1-phenylcyclohexyl)methyl]cyclopentane-1-carboxamide;hydrochloride is Cl.N[C@@H]1C[C@H](C(=O)NCC2(c3ccccc3)CCCCC2)C[C@H]1O.
What is the InChIKey of (1S,3R,4R)-3-amino-4-hydroxy-N-[(1-phenylcyclohexyl)methyl]cyclopentane-1-carboxamide;hydrochloride?
The InChIKey is RDVMQFAUGSSIQC-DYWKTHLTSA-N. The full InChI is InChI=1S/C19H28N2O2.ClH/c20-16-11-14(12-17(16)22)18(23)21-13-19(9-5-2-6-10-19)15-7-3-1-4-8-15;/h1,3-4,7-8,14,16-17,22H,2,5-6,9-13,20H2,(H,21,23);1H/t14-,16+,17+;/m0./s1.
What are the key properties of (1S,3R,4R)-3-amino-4-hydroxy-N-[(1-phenylcyclohexyl)methyl]cyclopentane-1-carboxamide;hydrochloride?
(1S,3R,4R)-3-amino-4-hydroxy-N-[(1-phenylcyclohexyl)methyl]cyclopentane-1-carboxamide;hydrochloride has a molecular weight of 352.91 g/mol, XLogP of 2.52, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,3R,4R)-3-amino-4-hydroxy-N-[(1-phenylcyclohexyl)methyl]cyclopentane-1-carboxamide;hydrochloride is sourced from PubChem (CID 155940030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).