1-(2,2-diphenylethylcarbamoylamino)-N-methylcyclohexane-1-carboxamide

C23H29N3O2 — CID 119061773

IUPAC1-(2,2-diphenylethylcarbamoylamino)-N-methylcyclohexane-1-carboxamide
SMILESCNC(=O)C1(NC(=O)NCC(c2ccccc2)c2ccccc2)CCCCC1
InChIInChI=1S/C23H29N3O2/c1-24-21(27)23(15-9-4-10-16-23)26-22(28)25-17-20(18-11-5-2-6-12-18)19-13-7-3-8-14-19/h2-3,5-8,11-14,20H,4,9-10,15-17H2,1H3,(H,24,27)(H2,25,26,28)
InChIKeyAZABKTBQPLNEBR-UHFFFAOYSA-N
MW379.50 g/mol
LogP3.57
Rot. Bonds6

About 1-(2,2-diphenylethylcarbamoylamino)-N-methylcyclohexane-1-carboxamide

1-(2,2-diphenylethylcarbamoylamino)-N-methylcyclohexane-1-carboxamide (PubChem CID 119061773) has the molecular formula C23H29N3O2 and a molecular weight of 379.50 g/mol. Its IUPAC name is 1-(2,2-diphenylethylcarbamoylamino)-N-methylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-(2,2-diphenylethylcarbamoylamino)-N-methylcyclohexane-1-carboxamide
PubChem CID119061773
Molecular FormulaC23H29N3O2
Molecular Weight379.50 g/mol
Exact Mass379.23
IUPAC Name1-(2,2-diphenylethylcarbamoylamino)-N-methylcyclohexane-1-carboxamide
SMILESCNC(=O)C1(NC(=O)NCC(c2ccccc2)c2ccccc2)CCCCC1
InChIInChI=1S/C23H29N3O2/c1-24-21(27)23(15-9-4-10-16-23)26-22(28)25-17-20(18-11-5-2-6-12-18)19-13-7-3-8-14-19/h2-3,5-8,11-14,20H,4,9-10,15-17H2,1H3,(H,24,27)(H2,25,26,28)
InChIKeyAZABKTBQPLNEBR-UHFFFAOYSA-N
XLogP3.57
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.50
LogP ≤ 53.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze 1-(2,2-diphenylethylcarbamoylamino)-N-methylcyclohexane-1-carboxamide 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

1-[1-(4-chlorophenyl)ethylcarbamoylamino]-N-methylcyclohexane-1-carboxamide
CID 119070824
1-[2-[(3R)-1-benzylpyrrolidin-3-yl]ethylcarbamoylamino]-N-methylcyclohexane-1-carboxamide
CID 126450569
1-[[(1R)-3,3-dimethyl-1-pyridin-3-ylbutyl]carbamoylamino]-N-methylcyclohexane-1-carboxamide
CID 125443026
1-(2,2-diphenylethyl)-3-ethylurea
CID 47133841
1-[(2-hydroxy-2-phenylacetyl)amino]-N-propylcyclohexane-1-carboxamide
CID 111432652
1-(1-phenylethylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 61186922
1-methyl-N-[1-(methylcarbamoyl)cyclohexyl]-3-phenylpyrazole-5-carboxamide
CID 77087471
(2R)-2-[[1-(benzylcarbamoylamino)cyclopentanecarbonyl]amino]-4-methylpentanoic acid
CID 119364123
2-(1-hydroxycyclohexyl)-N-methyl-2-phenylacetamide
CID 70447762
1-cyclopentyl-3-(2,2-diphenylethyl)urea
CID 38287341
sodium (2S)-2-[[1-(methylcarbamoyl)cyclohexyl]amino]-3-phenylpropanoate
CID 23672180
N-butan-2-yl-1-(phenylcarbamoylamino)cyclohexane-1-carboxamide
CID 3221292

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-diphenylethylcarbamoylamino)-N-methylcyclohexane-1-carboxamide?
The IUPAC name of 1-(2,2-diphenylethylcarbamoylamino)-N-methylcyclohexane-1-carboxamide (CID 119061773) is 1-(2,2-diphenylethylcarbamoylamino)-N-methylcyclohexane-1-carboxamide.
What is the SMILES notation for 1-(2,2-diphenylethylcarbamoylamino)-N-methylcyclohexane-1-carboxamide?
The canonical SMILES for 1-(2,2-diphenylethylcarbamoylamino)-N-methylcyclohexane-1-carboxamide is CNC(=O)C1(NC(=O)NCC(c2ccccc2)c2ccccc2)CCCCC1.
What is the InChIKey of 1-(2,2-diphenylethylcarbamoylamino)-N-methylcyclohexane-1-carboxamide?
The InChIKey is AZABKTBQPLNEBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O2/c1-24-21(27)23(15-9-4-10-16-23)26-22(28)25-17-20(18-11-5-2-6-12-18)19-13-7-3-8-14-19/h2-3,5-8,11-14,20H,4,9-10,15-17H2,1H3,(H,24,27)(H2,25,26,28).
What are the key properties of 1-(2,2-diphenylethylcarbamoylamino)-N-methylcyclohexane-1-carboxamide?
1-(2,2-diphenylethylcarbamoylamino)-N-methylcyclohexane-1-carboxamide has a molecular weight of 379.50 g/mol, XLogP of 3.57, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-diphenylethylcarbamoylamino)-N-methylcyclohexane-1-carboxamide is sourced from PubChem (CID 119061773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).