N-cyclohexyl-3-[(3-methylphenyl)methylamino]propanamide

C17H26N2O — CID 109013960

IUPACN-cyclohexyl-3-[(3-methylphenyl)methylamino]propanamide
SMILESCc1cccc(CNCCC(=O)NC2CCCCC2)c1
InChIInChI=1S/C17H26N2O/c1-14-6-5-7-15(12-14)13-18-11-10-17(20)19-16-8-3-2-4-9-16/h5-7,12,16,18H,2-4,8-11,13H2,1H3,(H,19,20)
InChIKeyHKWPDKWEDORLLE-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.92
Rot. Bonds6

About N-cyclohexyl-3-[(3-methylphenyl)methylamino]propanamide

N-cyclohexyl-3-[(3-methylphenyl)methylamino]propanamide (PubChem CID 109013960) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is N-cyclohexyl-3-[(3-methylphenyl)methylamino]propanamide.

Molecular Properties

Compound NameN-cyclohexyl-3-[(3-methylphenyl)methylamino]propanamide
PubChem CID109013960
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC NameN-cyclohexyl-3-[(3-methylphenyl)methylamino]propanamide
SMILESCc1cccc(CNCCC(=O)NC2CCCCC2)c1
InChIInChI=1S/C17H26N2O/c1-14-6-5-7-15(12-14)13-18-11-10-17(20)19-16-8-3-2-4-9-16/h5-7,12,16,18H,2-4,8-11,13H2,1H3,(H,19,20)
InChIKeyHKWPDKWEDORLLE-UHFFFAOYSA-N
XLogP2.92
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-cyclopentyl-3-[(3-methylphenyl)methylamino]propanamide
CID 109013435
N-cyclohexyl-2-[(3-methylphenyl)methylamino]acetamide
CID 60903369
N-cyclohexyl-2-(3-methylphenyl)acetamide
CID 6467373
N-(1,1-dioxothiolan-3-yl)-3-[(3-methylphenyl)methylamino]propanamide
CID 109019597
N-cyclopentyl-3-[[N'-methyl-N-[(3-methylphenyl)methyl]carbamimidoyl]amino]propanamide;hydroiodide
CID 111900894
4-N-cycloheptyl-1-N-[(3-methylphenyl)methyl]benzene-1,4-dicarboxamide
CID 109046875
N-cyclopropyl-3-[(4-methylphenyl)methylamino]propanamide
CID 55090993
N-[3-(cyclopentylamino)-3-oxopropyl]-3-methylbenzamide
CID 17191350
N-cyclopentyl-3-[(4-fluorophenyl)methylamino]propanamide
CID 109013440
6-N-cycloheptyl-2-N-[(3-methylphenyl)methyl]pyridine-2,6-dicarboxamide
CID 109097432
2-(cyclohexylamino)-N-[(3-methylphenyl)methyl]acetamide
CID 108993563
N-[(3-methylphenyl)methyl]-3-[(4-methylphenyl)methylamino]propanamide
CID 109019412

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-3-[(3-methylphenyl)methylamino]propanamide?
The IUPAC name of N-cyclohexyl-3-[(3-methylphenyl)methylamino]propanamide (CID 109013960) is N-cyclohexyl-3-[(3-methylphenyl)methylamino]propanamide.
What is the SMILES notation for N-cyclohexyl-3-[(3-methylphenyl)methylamino]propanamide?
The canonical SMILES for N-cyclohexyl-3-[(3-methylphenyl)methylamino]propanamide is Cc1cccc(CNCCC(=O)NC2CCCCC2)c1.
What is the InChIKey of N-cyclohexyl-3-[(3-methylphenyl)methylamino]propanamide?
The InChIKey is HKWPDKWEDORLLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-14-6-5-7-15(12-14)13-18-11-10-17(20)19-16-8-3-2-4-9-16/h5-7,12,16,18H,2-4,8-11,13H2,1H3,(H,19,20).
What are the key properties of N-cyclohexyl-3-[(3-methylphenyl)methylamino]propanamide?
N-cyclohexyl-3-[(3-methylphenyl)methylamino]propanamide has a molecular weight of 274.41 g/mol, XLogP of 2.92, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-3-[(3-methylphenyl)methylamino]propanamide is sourced from PubChem (CID 109013960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).