4-(methylamino)-N-(4-phenylcyclohexyl)butanamide;hydrochloride

C17H27ClN2O — CID 119716199

IUPAC4-(methylamino)-N-(4-phenylcyclohexyl)butanamide;hydrochloride
SMILESCNCCCC(=O)NC1CCC(c2ccccc2)CC1.Cl
InChIInChI=1S/C17H26N2O.ClH/c1-18-13-5-8-17(20)19-16-11-9-15(10-12-16)14-6-3-2-4-7-14;/h2-4,6-7,15-16,18H,5,8-13H2,1H3,(H,19,20);1H
InChIKeyKUMATVQZJGRTTR-UHFFFAOYSA-N
MW310.87 g/mol
LogP3.25
Rot. Bonds6

About 4-(methylamino)-N-(4-phenylcyclohexyl)butanamide;hydrochloride

4-(methylamino)-N-(4-phenylcyclohexyl)butanamide;hydrochloride (PubChem CID 119716199) has the molecular formula C17H27ClN2O and a molecular weight of 310.87 g/mol. Its IUPAC name is 4-(methylamino)-N-(4-phenylcyclohexyl)butanamide;hydrochloride.

Molecular Properties

Compound Name4-(methylamino)-N-(4-phenylcyclohexyl)butanamide;hydrochloride
PubChem CID119716199
Molecular FormulaC17H27ClN2O
Molecular Weight310.87 g/mol
Exact Mass310.18
IUPAC Name4-(methylamino)-N-(4-phenylcyclohexyl)butanamide;hydrochloride
SMILESCNCCCC(=O)NC1CCC(c2ccccc2)CC1.Cl
InChIInChI=1S/C17H26N2O.ClH/c1-18-13-5-8-17(20)19-16-11-9-15(10-12-16)14-6-3-2-4-7-14;/h2-4,6-7,15-16,18H,5,8-13H2,1H3,(H,19,20);1H
InChIKeyKUMATVQZJGRTTR-UHFFFAOYSA-N
XLogP3.25
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.87
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-(methylamino)-N-(4-phenylcyclohexyl)butanamide;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

4-amino-N-(4-phenylcyclohexyl)butanamide
CID 43699336
N-cyclopropyl-3-[(3-phenylcyclobutyl)amino]propanamide
CID 79386458
4-amino-3-methoxy-N-(4-phenylcyclohexyl)butanamide;hydrochloride
CID 120588455
3-amino-3-methyl-N-(4-phenylcyclohexyl)butanamide
CID 64683408
4-(methylamino)-N-(thian-4-yl)butanamide;hydrochloride
CID 119765675
4-(methylamino)-N-(2-oxo-1-phenylpyrrolidin-3-yl)butanamide;hydrochloride
CID 119781166
4-(methylamino)-N-(1-phenylpiperidin-3-yl)butanamide
CID 119888744
N-(4-phenylcyclohexyl)-2-piperidin-4-ylacetamide;hydrochloride
CID 119716224
3-amino-3-phenyl-N-(4-phenylcyclohexyl)propanamide;hydrochloride
CID 119949671
N-cyclopropyl-4-(1-phenylpropylamino)butanamide
CID 79394506
N-cyclopropyl-4-[[3-(4-methylphenyl)cyclobutyl]amino]butanamide
CID 79378064
N-[1-(2-bromophenyl)pyrrolidin-3-yl]-4-(methylamino)butanamide;dihydrochloride
CID 119884373

Frequently Asked Questions

What is the IUPAC name of 4-(methylamino)-N-(4-phenylcyclohexyl)butanamide;hydrochloride?
The IUPAC name of 4-(methylamino)-N-(4-phenylcyclohexyl)butanamide;hydrochloride (CID 119716199) is 4-(methylamino)-N-(4-phenylcyclohexyl)butanamide;hydrochloride.
What is the SMILES notation for 4-(methylamino)-N-(4-phenylcyclohexyl)butanamide;hydrochloride?
The canonical SMILES for 4-(methylamino)-N-(4-phenylcyclohexyl)butanamide;hydrochloride is CNCCCC(=O)NC1CCC(c2ccccc2)CC1.Cl.
What is the InChIKey of 4-(methylamino)-N-(4-phenylcyclohexyl)butanamide;hydrochloride?
The InChIKey is KUMATVQZJGRTTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O.ClH/c1-18-13-5-8-17(20)19-16-11-9-15(10-12-16)14-6-3-2-4-7-14;/h2-4,6-7,15-16,18H,5,8-13H2,1H3,(H,19,20);1H.
What are the key properties of 4-(methylamino)-N-(4-phenylcyclohexyl)butanamide;hydrochloride?
4-(methylamino)-N-(4-phenylcyclohexyl)butanamide;hydrochloride has a molecular weight of 310.87 g/mol, XLogP of 3.25, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylamino)-N-(4-phenylcyclohexyl)butanamide;hydrochloride is sourced from PubChem (CID 119716199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).