1-[(4-cyclohexylphenyl)-phenylmethyl]-3-[(1R)-1-phenylethyl]urea

C28H32N2O — CID 141030171

IUPAC1-[(4-cyclohexylphenyl)-phenylmethyl]-3-[(1R)-1-phenylethyl]urea
SMILESC[C@@H](NC(=O)NC(c1ccccc1)c1ccc(C2CCCCC2)cc1)c1ccccc1
InChIInChI=1S/C28H32N2O/c1-21(22-11-5-2-6-12-22)29-28(31)30-27(25-15-9-4-10-16-25)26-19-17-24(18-20-26)23-13-7-3-8-14-23/h2,4-6,9-12,15-21,23,27H,3,7-8,13-14H2,1H3,(H2,29,30,31)/t21-,27?/m1/s1
InChIKeySPZOKLVSVZRMQL-XJQHNOHDSA-N
MW412.58 g/mol
LogP6.88
Rot. Bonds6

About 1-[(4-cyclohexylphenyl)-phenylmethyl]-3-[(1R)-1-phenylethyl]urea

1-[(4-cyclohexylphenyl)-phenylmethyl]-3-[(1R)-1-phenylethyl]urea (PubChem CID 141030171) has the molecular formula C28H32N2O and a molecular weight of 412.58 g/mol. Its IUPAC name is 1-[(4-cyclohexylphenyl)-phenylmethyl]-3-[(1R)-1-phenylethyl]urea.

Molecular Properties

Compound Name1-[(4-cyclohexylphenyl)-phenylmethyl]-3-[(1R)-1-phenylethyl]urea
PubChem CID141030171
Molecular FormulaC28H32N2O
Molecular Weight412.58 g/mol
Exact Mass412.25
IUPAC Name1-[(4-cyclohexylphenyl)-phenylmethyl]-3-[(1R)-1-phenylethyl]urea
SMILESC[C@@H](NC(=O)NC(c1ccccc1)c1ccc(C2CCCCC2)cc1)c1ccccc1
InChIInChI=1S/C28H32N2O/c1-21(22-11-5-2-6-12-22)29-28(31)30-27(25-15-9-4-10-16-25)26-19-17-24(18-20-26)23-13-7-3-8-14-23/h2,4-6,9-12,15-21,23,27H,3,7-8,13-14H2,1H3,(H2,29,30,31)/t21-,27?/m1/s1
InChIKeySPZOKLVSVZRMQL-XJQHNOHDSA-N
XLogP6.88
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.58
LogP ≤ 56.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze 1-[(4-cyclohexylphenyl)-phenylmethyl]-3-[(1R)-1-phenylethyl]urea with MolForge

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Related Compounds

1-cyclohexyl-3-[(1R)-1-phenylethyl]urea
CID 840473
1-[(4-cyclohexylphenyl)-phenylmethyl]-3-(3-methylsulfonylphenyl)urea
CID 141030160
1-[4-[(4-cyclopentylphenyl)methylsulfonyl]phenyl]-3-[(1S)-1-phenylethyl]urea
CID 161354866
1-(4-cyclohexylphenyl)-N-methylethanamine
CID 43484988
1-hydroxy-3-[(1R)-1-phenylethyl]urea
CID 50905877
1-benzhydryl-3-(2-methylcyclohexyl)urea
CID 108867484
1-cyclopropyl-3-(1-phenylethyl)urea
CID 42924486
3-(4-cyclohexylphenyl)-4-methylpentanoic acid
CID 52983807
1-benzhydryl-3-(cyclohexylmethyl)urea
CID 108902827
(2R,3S)-2-(4-cyclohexylphenyl)-3-hydroxybutanoic acid
CID 13153059
2-[cyclohexyl(methyl)amino]-N-[(1R)-1-phenylethyl]acetamide
CID 8004439
N-benzhydryl-3-(4-fluorophenyl)azepane-1-carboxamide
CID 121130962

Frequently Asked Questions

What is the IUPAC name of 1-[(4-cyclohexylphenyl)-phenylmethyl]-3-[(1R)-1-phenylethyl]urea?
The IUPAC name of 1-[(4-cyclohexylphenyl)-phenylmethyl]-3-[(1R)-1-phenylethyl]urea (CID 141030171) is 1-[(4-cyclohexylphenyl)-phenylmethyl]-3-[(1R)-1-phenylethyl]urea.
What is the SMILES notation for 1-[(4-cyclohexylphenyl)-phenylmethyl]-3-[(1R)-1-phenylethyl]urea?
The canonical SMILES for 1-[(4-cyclohexylphenyl)-phenylmethyl]-3-[(1R)-1-phenylethyl]urea is C[C@@H](NC(=O)NC(c1ccccc1)c1ccc(C2CCCCC2)cc1)c1ccccc1.
What is the InChIKey of 1-[(4-cyclohexylphenyl)-phenylmethyl]-3-[(1R)-1-phenylethyl]urea?
The InChIKey is SPZOKLVSVZRMQL-XJQHNOHDSA-N. The full InChI is InChI=1S/C28H32N2O/c1-21(22-11-5-2-6-12-22)29-28(31)30-27(25-15-9-4-10-16-25)26-19-17-24(18-20-26)23-13-7-3-8-14-23/h2,4-6,9-12,15-21,23,27H,3,7-8,13-14H2,1H3,(H2,29,30,31)/t21-,27?/m1/s1.
What are the key properties of 1-[(4-cyclohexylphenyl)-phenylmethyl]-3-[(1R)-1-phenylethyl]urea?
1-[(4-cyclohexylphenyl)-phenylmethyl]-3-[(1R)-1-phenylethyl]urea has a molecular weight of 412.58 g/mol, XLogP of 6.88, 6 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-cyclohexylphenyl)-phenylmethyl]-3-[(1R)-1-phenylethyl]urea is sourced from PubChem (CID 141030171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).