N-cyclohexyl-N'-(2-methylphenyl)propanediamide

C16H22N2O2 — CID 108942579

IUPACN-cyclohexyl-N'-(2-methylphenyl)propanediamide
SMILESCc1ccccc1NC(=O)CC(=O)NC1CCCCC1
InChIInChI=1S/C16H22N2O2/c1-12-7-5-6-10-14(12)18-16(20)11-15(19)17-13-8-3-2-4-9-13/h5-7,10,13H,2-4,8-9,11H2,1H3,(H,17,19)(H,18,20)
InChIKeyDDYHQLQMCSGIDW-UHFFFAOYSA-N
MW274.36 g/mol
LogP2.77
Rot. Bonds4

About N-cyclohexyl-N'-(2-methylphenyl)propanediamide

N-cyclohexyl-N'-(2-methylphenyl)propanediamide (PubChem CID 108942579) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is N-cyclohexyl-N'-(2-methylphenyl)propanediamide.

Molecular Properties

Compound NameN-cyclohexyl-N'-(2-methylphenyl)propanediamide
PubChem CID108942579
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC NameN-cyclohexyl-N'-(2-methylphenyl)propanediamide
SMILESCc1ccccc1NC(=O)CC(=O)NC1CCCCC1
InChIInChI=1S/C16H22N2O2/c1-12-7-5-6-10-14(12)18-16(20)11-15(19)17-13-8-3-2-4-9-13/h5-7,10,13H,2-4,8-9,11H2,1H3,(H,17,19)(H,18,20)
InChIKeyDDYHQLQMCSGIDW-UHFFFAOYSA-N
XLogP2.77
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

methyl 2-[[3-(cyclohexylamino)-3-oxopropanoyl]amino]benzoate
CID 108942633
N'-(2-chlorophenyl)-N-cyclopentylpropanediamide
CID 108942228
N-cyclopentyl-N'-(2-methylphenyl)oxamide
CID 2290931
2-[[3-(cyclohexylamino)-3-oxopropanoyl]amino]benzoate
CID 6990965
1-N-cyclohexyl-4-N-(2-methylphenyl)cyclohexane-1,4-dicarboxamide
CID 109146141
1-cyclododecyl-3-(2-methylphenyl)thiourea
CID 19652468
N-cyclopentyl-N'-(2-propan-2-yloxyphenyl)propanediamide
CID 108942247
2-[cycloheptyl(methyl)amino]-N-(2-methylphenyl)acetamide
CID 16577693
2-N-cyclopentyl-1-N-(2-methylphenyl)cyclopropane-1,2-dicarboxamide
CID 109132069
N-cycloheptyl-2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylamino]acetamide
CID 38510500
N-cyclopropyl-N'-(2,4-dimethylphenyl)propanediamide
CID 108941058
cyclohexyl-methyl-[2-(2-methylanilino)-2-oxoethyl]azanium
CID 8902222

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N'-(2-methylphenyl)propanediamide?
The IUPAC name of N-cyclohexyl-N'-(2-methylphenyl)propanediamide (CID 108942579) is N-cyclohexyl-N'-(2-methylphenyl)propanediamide.
What is the SMILES notation for N-cyclohexyl-N'-(2-methylphenyl)propanediamide?
The canonical SMILES for N-cyclohexyl-N'-(2-methylphenyl)propanediamide is Cc1ccccc1NC(=O)CC(=O)NC1CCCCC1.
What is the InChIKey of N-cyclohexyl-N'-(2-methylphenyl)propanediamide?
The InChIKey is DDYHQLQMCSGIDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-12-7-5-6-10-14(12)18-16(20)11-15(19)17-13-8-3-2-4-9-13/h5-7,10,13H,2-4,8-9,11H2,1H3,(H,17,19)(H,18,20).
What are the key properties of N-cyclohexyl-N'-(2-methylphenyl)propanediamide?
N-cyclohexyl-N'-(2-methylphenyl)propanediamide has a molecular weight of 274.36 g/mol, XLogP of 2.77, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N'-(2-methylphenyl)propanediamide is sourced from PubChem (CID 108942579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).