1-benzhydryl-3-(2-methylcyclohexyl)urea

C21H26N2O — CID 108867484

IUPAC1-benzhydryl-3-(2-methylcyclohexyl)urea
SMILESCC1CCCCC1NC(=O)NC(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H26N2O/c1-16-10-8-9-15-19(16)22-21(24)23-20(17-11-4-2-5-12-17)18-13-6-3-7-14-18/h2-7,11-14,16,19-20H,8-10,15H2,1H3,(H2,22,23,24)
InChIKeyAKDLUHCPSQGNCH-UHFFFAOYSA-N
MW322.45 g/mol
LogP4.65
Rot. Bonds4

About 1-benzhydryl-3-(2-methylcyclohexyl)urea

1-benzhydryl-3-(2-methylcyclohexyl)urea (PubChem CID 108867484) has the molecular formula C21H26N2O and a molecular weight of 322.45 g/mol. Its IUPAC name is 1-benzhydryl-3-(2-methylcyclohexyl)urea.

Molecular Properties

Compound Name1-benzhydryl-3-(2-methylcyclohexyl)urea
PubChem CID108867484
Molecular FormulaC21H26N2O
Molecular Weight322.45 g/mol
Exact Mass322.20
IUPAC Name1-benzhydryl-3-(2-methylcyclohexyl)urea
SMILESCC1CCCCC1NC(=O)NC(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H26N2O/c1-16-10-8-9-15-19(16)22-21(24)23-20(17-11-4-2-5-12-17)18-13-6-3-7-14-18/h2-7,11-14,16,19-20H,8-10,15H2,1H3,(H2,22,23,24)
InChIKeyAKDLUHCPSQGNCH-UHFFFAOYSA-N
XLogP4.65
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 54.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

2-(benzhydrylamino)-N-[(1S,2R)-2-methylcyclohexyl]acetamide
CID 8548615
N-[(1S,2R)-2-methylcyclohexyl]-2,2-diphenylacetamide
CID 7909419
(2S)-2-[[(1R,2R)-2-methylcyclohexyl]carbamoylamino]-3-phenylpropanoic acid
CID 943588
1-(2-methylcycloheptyl)-3-propan-2-ylurea
CID 115660988
N-[(1R)-2-methylcyclohexyl]benzamide
CID 137472316
2-[[(4-fluorophenyl)-phenylmethyl]amino]-N-(2-methylcyclohexyl)acetamide
CID 55896839
3-amino-2-methyl-N-(2-methylcyclohexyl)-3-phenylpropanamide;hydrochloride
CID 119676490
1-(2-methylcyclohexyl)-3-(1-phenylcyclopropyl)urea
CID 110490785
[2-[[(1S,2S)-2-methylcyclohexyl]amino]-2-oxoethyl] 2,2-diphenylacetate
CID 7749921
(2S)-3-methyl-2-[[(1S,2R)-2-methylcyclohexyl]carbamoylamino]butanoic acid
CID 942050
1-benzhydryl-3-(oxolan-2-yl)urea
CID 108887792
(2S)-3-methyl-2-[[(1S,2S)-2-methylcyclohexyl]carbamoylamino]butanoate
CID 6956411

Frequently Asked Questions

What is the IUPAC name of 1-benzhydryl-3-(2-methylcyclohexyl)urea?
The IUPAC name of 1-benzhydryl-3-(2-methylcyclohexyl)urea (CID 108867484) is 1-benzhydryl-3-(2-methylcyclohexyl)urea.
What is the SMILES notation for 1-benzhydryl-3-(2-methylcyclohexyl)urea?
The canonical SMILES for 1-benzhydryl-3-(2-methylcyclohexyl)urea is CC1CCCCC1NC(=O)NC(c1ccccc1)c1ccccc1.
What is the InChIKey of 1-benzhydryl-3-(2-methylcyclohexyl)urea?
The InChIKey is AKDLUHCPSQGNCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O/c1-16-10-8-9-15-19(16)22-21(24)23-20(17-11-4-2-5-12-17)18-13-6-3-7-14-18/h2-7,11-14,16,19-20H,8-10,15H2,1H3,(H2,22,23,24).
What are the key properties of 1-benzhydryl-3-(2-methylcyclohexyl)urea?
1-benzhydryl-3-(2-methylcyclohexyl)urea has a molecular weight of 322.45 g/mol, XLogP of 4.65, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzhydryl-3-(2-methylcyclohexyl)urea is sourced from PubChem (CID 108867484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).