1-(3-methylphenyl)-3-[(1-phenylcyclohexyl)methyl]urea

C21H26N2O — CID 14977495

IUPAC1-(3-methylphenyl)-3-[(1-phenylcyclohexyl)methyl]urea
SMILESCc1cccc(NC(=O)NCC2(c3ccccc3)CCCCC2)c1
InChIInChI=1S/C21H26N2O/c1-17-9-8-12-19(15-17)23-20(24)22-16-21(13-6-3-7-14-21)18-10-4-2-5-11-18/h2,4-5,8-12,15H,3,6-7,13-14,16H2,1H3,(H2,22,23,24)
InChIKeyFJRGXYYGEKNROP-UHFFFAOYSA-N
MW322.45 g/mol
LogP5.02
Rot. Bonds4

About 1-(3-methylphenyl)-3-[(1-phenylcyclohexyl)methyl]urea

1-(3-methylphenyl)-3-[(1-phenylcyclohexyl)methyl]urea (PubChem CID 14977495) has the molecular formula C21H26N2O and a molecular weight of 322.45 g/mol. Its IUPAC name is 1-(3-methylphenyl)-3-[(1-phenylcyclohexyl)methyl]urea.

Molecular Properties

Compound Name1-(3-methylphenyl)-3-[(1-phenylcyclohexyl)methyl]urea
PubChem CID14977495
Molecular FormulaC21H26N2O
Molecular Weight322.45 g/mol
Exact Mass322.20
IUPAC Name1-(3-methylphenyl)-3-[(1-phenylcyclohexyl)methyl]urea
SMILESCc1cccc(NC(=O)NCC2(c3ccccc3)CCCCC2)c1
InChIInChI=1S/C21H26N2O/c1-17-9-8-12-19(15-17)23-20(24)22-16-21(13-6-3-7-14-21)18-10-4-2-5-11-18/h2,4-5,8-12,15H,3,6-7,13-14,16H2,1H3,(H2,22,23,24)
InChIKeyFJRGXYYGEKNROP-UHFFFAOYSA-N
XLogP5.02
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.45
LogP ≤ 55.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3,5-dimethylphenyl)-3-[(1-phenylcyclopropyl)methyl]urea
CID 113213875
N-[[1-(4-fluorophenyl)cyclopentyl]methyl]-2-[(3-methylphenyl)carbamoylamino]acetamide
CID 60555754
1-N-(3-methylphenyl)-3-N-[(1-phenylcyclopentyl)methyl]piperidine-1,3-dicarboxamide
CID 55910670
ethyl 4-[(1-phenylcyclohexyl)methylcarbamoylamino]benzoate
CID 14977501
1-(3,4-difluorophenyl)-3-[(1-phenylcyclobutyl)methyl]urea
CID 113215039
3-amino-N-[[1-(3-methylphenyl)cyclohexyl]methyl]propanamide
CID 119295111
1-[(1-phenylcyclohexyl)methyl]-3-(2-propan-2-ylphenyl)urea
CID 14977491
1-(2-methyl-6-propan-2-ylphenyl)-3-[(1-phenylcyclopentyl)methyl]urea
CID 14977537
1-[3-(difluoromethoxy)phenyl]-3-[(1-phenylcyclopropyl)methyl]urea
CID 47039477
1-[2,6-di(propan-2-yl)phenyl]-3-[(1-phenylcyclobutyl)methyl]urea
CID 14977526
1-[(4-hydroxyoxan-4-yl)methyl]-3-[[1-(3-methylphenyl)cyclopentyl]methyl]urea
CID 110936718
2-(methylcarbamoylamino)-N-[(1-phenylcycloheptyl)methyl]acetamide
CID 136518370

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylphenyl)-3-[(1-phenylcyclohexyl)methyl]urea?
The IUPAC name of 1-(3-methylphenyl)-3-[(1-phenylcyclohexyl)methyl]urea (CID 14977495) is 1-(3-methylphenyl)-3-[(1-phenylcyclohexyl)methyl]urea.
What is the SMILES notation for 1-(3-methylphenyl)-3-[(1-phenylcyclohexyl)methyl]urea?
The canonical SMILES for 1-(3-methylphenyl)-3-[(1-phenylcyclohexyl)methyl]urea is Cc1cccc(NC(=O)NCC2(c3ccccc3)CCCCC2)c1.
What is the InChIKey of 1-(3-methylphenyl)-3-[(1-phenylcyclohexyl)methyl]urea?
The InChIKey is FJRGXYYGEKNROP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O/c1-17-9-8-12-19(15-17)23-20(24)22-16-21(13-6-3-7-14-21)18-10-4-2-5-11-18/h2,4-5,8-12,15H,3,6-7,13-14,16H2,1H3,(H2,22,23,24).
What are the key properties of 1-(3-methylphenyl)-3-[(1-phenylcyclohexyl)methyl]urea?
1-(3-methylphenyl)-3-[(1-phenylcyclohexyl)methyl]urea has a molecular weight of 322.45 g/mol, XLogP of 5.02, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylphenyl)-3-[(1-phenylcyclohexyl)methyl]urea is sourced from PubChem (CID 14977495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).