4-methyl-N-[2-[(4-methylcyclohexyl)amino]ethyl]benzamide

C17H26N2O — CID 60965036

IUPAC4-methyl-N-[2-[(4-methylcyclohexyl)amino]ethyl]benzamide
SMILESCc1ccc(C(=O)NCCNC2CCC(C)CC2)cc1
InChIInChI=1S/C17H26N2O/c1-13-3-7-15(8-4-13)17(20)19-12-11-18-16-9-5-14(2)6-10-16/h3-4,7-8,14,16,18H,5-6,9-12H2,1-2H3,(H,19,20)
InChIKeyRUFDXVBOEXJEQM-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.89
Rot. Bonds5

About 4-methyl-N-[2-[(4-methylcyclohexyl)amino]ethyl]benzamide

4-methyl-N-[2-[(4-methylcyclohexyl)amino]ethyl]benzamide (PubChem CID 60965036) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 4-methyl-N-[2-[(4-methylcyclohexyl)amino]ethyl]benzamide.

Molecular Properties

Compound Name4-methyl-N-[2-[(4-methylcyclohexyl)amino]ethyl]benzamide
PubChem CID60965036
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name4-methyl-N-[2-[(4-methylcyclohexyl)amino]ethyl]benzamide
SMILESCc1ccc(C(=O)NCCNC2CCC(C)CC2)cc1
InChIInChI=1S/C17H26N2O/c1-13-3-7-15(8-4-13)17(20)19-12-11-18-16-9-5-14(2)6-10-16/h3-4,7-8,14,16,18H,5-6,9-12H2,1-2H3,(H,19,20)
InChIKeyRUFDXVBOEXJEQM-UHFFFAOYSA-N
XLogP2.89
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.89
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-[2-(cyclopropylamino)ethyl]-4-methylbenzamide
CID 62662954
N-[2-[(3,5-dimethylcyclohexyl)amino]ethyl]-4-methylbenzamide
CID 64751228
N-[2-[3-(cyclopropylamino)propanoylamino]ethyl]-4-methylbenzamide
CID 60965779
N-[2-[(3-aminocyclobutyl)amino]ethyl]-4-methylbenzamide
CID 80560795
N-[2-[(3,3-dimethylcyclopentyl)amino]ethyl]-4-methylbenzamide
CID 80706039
N-[2-(cyclopropylamino)ethyl]-2-(4-methylphenyl)acetamide
CID 55100633
N-[2-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]ethyl]-4-methylbenzamide
CID 106658655
N-[2-(cyclopropylamino)ethyl]-3-fluoro-4-methylbenzamide
CID 62664386
N-[2-(cyclopropylamino)ethyl]-4-fluoro-3-methylbenzamide;hydrochloride
CID 91659401
N-[2-[(4-methylcyclohexyl)amino]ethyl]furan-2-carboxamide
CID 3156885
N-[2-[[1-(cyclopropylamino)-1-oxopropan-2-yl]amino]ethyl]-4-methylbenzamide
CID 60966595
4-methyl-N-[2-(methylamino)ethyl]benzamide
CID 59535801

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[2-[(4-methylcyclohexyl)amino]ethyl]benzamide?
The IUPAC name of 4-methyl-N-[2-[(4-methylcyclohexyl)amino]ethyl]benzamide (CID 60965036) is 4-methyl-N-[2-[(4-methylcyclohexyl)amino]ethyl]benzamide.
What is the SMILES notation for 4-methyl-N-[2-[(4-methylcyclohexyl)amino]ethyl]benzamide?
The canonical SMILES for 4-methyl-N-[2-[(4-methylcyclohexyl)amino]ethyl]benzamide is Cc1ccc(C(=O)NCCNC2CCC(C)CC2)cc1.
What is the InChIKey of 4-methyl-N-[2-[(4-methylcyclohexyl)amino]ethyl]benzamide?
The InChIKey is RUFDXVBOEXJEQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-13-3-7-15(8-4-13)17(20)19-12-11-18-16-9-5-14(2)6-10-16/h3-4,7-8,14,16,18H,5-6,9-12H2,1-2H3,(H,19,20).
What are the key properties of 4-methyl-N-[2-[(4-methylcyclohexyl)amino]ethyl]benzamide?
4-methyl-N-[2-[(4-methylcyclohexyl)amino]ethyl]benzamide has a molecular weight of 274.41 g/mol, XLogP of 2.89, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[2-[(4-methylcyclohexyl)amino]ethyl]benzamide is sourced from PubChem (CID 60965036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).