N-[(2S,3R)-3-amino-4-cyclohexyl-2-hydroxybutanoyl]naphthalene-1-carboxamide;hydrochloride

C21H27ClN2O3 — CID 70090671

IUPACN-[(2S,3R)-3-amino-4-cyclohexyl-2-hydroxybutanoyl]naphthalene-1-carboxamide;hydrochloride
SMILESCl.N[C@H](CC1CCCCC1)[C@H](O)C(=O)NC(=O)c1cccc2ccccc12
InChIInChI=1S/C21H26N2O3.ClH/c22-18(13-14-7-2-1-3-8-14)19(24)21(26)23-20(25)17-12-6-10-15-9-4-5-11-16(15)17;/h4-6,9-12,14,18-19,24H,1-3,7-8,13,22H2,(H,23,25,26);1H/t18-,19+;/m1./s1
InChIKeyQBMMNUCVTURCKZ-VOMIJIAVSA-N
MW390.91 g/mol
LogP3.18
Rot. Bonds5

About N-[(2S,3R)-3-amino-4-cyclohexyl-2-hydroxybutanoyl]naphthalene-1-carboxamide;hydrochloride

N-[(2S,3R)-3-amino-4-cyclohexyl-2-hydroxybutanoyl]naphthalene-1-carboxamide;hydrochloride (PubChem CID 70090671) has the molecular formula C21H27ClN2O3 and a molecular weight of 390.91 g/mol. Its IUPAC name is N-[(2S,3R)-3-amino-4-cyclohexyl-2-hydroxybutanoyl]naphthalene-1-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[(2S,3R)-3-amino-4-cyclohexyl-2-hydroxybutanoyl]naphthalene-1-carboxamide;hydrochloride
PubChem CID70090671
Molecular FormulaC21H27ClN2O3
Molecular Weight390.91 g/mol
Exact Mass390.17
IUPAC NameN-[(2S,3R)-3-amino-4-cyclohexyl-2-hydroxybutanoyl]naphthalene-1-carboxamide;hydrochloride
SMILESCl.N[C@H](CC1CCCCC1)[C@H](O)C(=O)NC(=O)c1cccc2ccccc12
InChIInChI=1S/C21H26N2O3.ClH/c22-18(13-14-7-2-1-3-8-14)19(24)21(26)23-20(25)17-12-6-10-15-9-4-5-11-16(15)17;/h4-6,9-12,14,18-19,24H,1-3,7-8,13,22H2,(H,23,25,26);1H/t18-,19+;/m1./s1
InChIKeyQBMMNUCVTURCKZ-VOMIJIAVSA-N
XLogP3.18
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.91
LogP ≤ 53.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[(2S,3R)-3-amino-4-cyclohexyl-2-hydroxybutanoyl]naphthalene-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

Frequently Asked Questions

What is the IUPAC name of N-[(2S,3R)-3-amino-4-cyclohexyl-2-hydroxybutanoyl]naphthalene-1-carboxamide;hydrochloride?
The IUPAC name of N-[(2S,3R)-3-amino-4-cyclohexyl-2-hydroxybutanoyl]naphthalene-1-carboxamide;hydrochloride (CID 70090671) is N-[(2S,3R)-3-amino-4-cyclohexyl-2-hydroxybutanoyl]naphthalene-1-carboxamide;hydrochloride.
What is the SMILES notation for N-[(2S,3R)-3-amino-4-cyclohexyl-2-hydroxybutanoyl]naphthalene-1-carboxamide;hydrochloride?
The canonical SMILES for N-[(2S,3R)-3-amino-4-cyclohexyl-2-hydroxybutanoyl]naphthalene-1-carboxamide;hydrochloride is Cl.N[C@H](CC1CCCCC1)[C@H](O)C(=O)NC(=O)c1cccc2ccccc12.
What is the InChIKey of N-[(2S,3R)-3-amino-4-cyclohexyl-2-hydroxybutanoyl]naphthalene-1-carboxamide;hydrochloride?
The InChIKey is QBMMNUCVTURCKZ-VOMIJIAVSA-N. The full InChI is InChI=1S/C21H26N2O3.ClH/c22-18(13-14-7-2-1-3-8-14)19(24)21(26)23-20(25)17-12-6-10-15-9-4-5-11-16(15)17;/h4-6,9-12,14,18-19,24H,1-3,7-8,13,22H2,(H,23,25,26);1H/t18-,19+;/m1./s1.
What are the key properties of N-[(2S,3R)-3-amino-4-cyclohexyl-2-hydroxybutanoyl]naphthalene-1-carboxamide;hydrochloride?
N-[(2S,3R)-3-amino-4-cyclohexyl-2-hydroxybutanoyl]naphthalene-1-carboxamide;hydrochloride has a molecular weight of 390.91 g/mol, XLogP of 3.18, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S,3R)-3-amino-4-cyclohexyl-2-hydroxybutanoyl]naphthalene-1-carboxamide;hydrochloride is sourced from PubChem (CID 70090671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).