1-[(1-phenylcyclohexyl)methyl]-3-(2-propan-2-ylphenyl)urea

C23H30N2O — CID 14977491

IUPAC1-[(1-phenylcyclohexyl)methyl]-3-(2-propan-2-ylphenyl)urea
SMILESCC(C)c1ccccc1NC(=O)NCC1(c2ccccc2)CCCCC1
InChIInChI=1S/C23H30N2O/c1-18(2)20-13-7-8-14-21(20)25-22(26)24-17-23(15-9-4-10-16-23)19-11-5-3-6-12-19/h3,5-8,11-14,18H,4,9-10,15-17H2,1-2H3,(H2,24,25,26)
InChIKeyGEOLLGPLRAWCSG-UHFFFAOYSA-N
MW350.51 g/mol
LogP5.83
Rot. Bonds5

About 1-[(1-phenylcyclohexyl)methyl]-3-(2-propan-2-ylphenyl)urea

1-[(1-phenylcyclohexyl)methyl]-3-(2-propan-2-ylphenyl)urea (PubChem CID 14977491) has the molecular formula C23H30N2O and a molecular weight of 350.51 g/mol. Its IUPAC name is 1-[(1-phenylcyclohexyl)methyl]-3-(2-propan-2-ylphenyl)urea.

Molecular Properties

Compound Name1-[(1-phenylcyclohexyl)methyl]-3-(2-propan-2-ylphenyl)urea
PubChem CID14977491
Molecular FormulaC23H30N2O
Molecular Weight350.51 g/mol
Exact Mass350.24
IUPAC Name1-[(1-phenylcyclohexyl)methyl]-3-(2-propan-2-ylphenyl)urea
SMILESCC(C)c1ccccc1NC(=O)NCC1(c2ccccc2)CCCCC1
InChIInChI=1S/C23H30N2O/c1-18(2)20-13-7-8-14-21(20)25-22(26)24-17-23(15-9-4-10-16-23)19-11-5-3-6-12-19/h3,5-8,11-14,18H,4,9-10,15-17H2,1-2H3,(H2,24,25,26)
InChIKeyGEOLLGPLRAWCSG-UHFFFAOYSA-N
XLogP5.83
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.51
LogP ≤ 55.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-[(1-phenylcyclobutyl)methyl]-3-(2-propan-2-ylphenyl)urea
CID 113214970
1-[2,6-di(propan-2-yl)phenyl]-3-[(1-phenylcyclobutyl)methyl]urea
CID 14977526
1-(2-methyl-6-propan-2-ylphenyl)-3-[(1-phenylcyclopentyl)methyl]urea
CID 14977537
1-[2,6-di(propan-2-yl)phenyl]-3-[[1-[4-(hydroxymethyl)phenyl]cyclopentyl]methyl]urea
CID 10476581
(2R)-2-amino-N-[(1-phenylcycloheptyl)methyl]propanamide;hydrochloride
CID 119316389
1-(3-methylphenyl)-3-[(1-phenylcyclohexyl)methyl]urea
CID 14977495
1-[2,6-di(propan-2-yl)phenyl]-3-[(1-pyridin-3-ylcyclopentyl)methyl]urea
CID 14977528
N-[(1-phenylcyclopentyl)methyl]-2-piperidin-1-ium-1-ylpropanamide chloride
CID 44655127
N-(2-methylpropyl)-N'-[(1-phenylcyclopentyl)methyl]oxamide
CID 40566076
(2S)-N-[(1-phenylcyclopentyl)methyl]-2-pyrrolidin-1-ium-1-ylpropanamide
CID 6935034
2-(methylcarbamoylamino)-N-[(1-phenylcycloheptyl)methyl]acetamide
CID 136518370
N-[(1-phenylcyclohexyl)methyl]propan-2-amine
CID 62596577

Frequently Asked Questions

What is the IUPAC name of 1-[(1-phenylcyclohexyl)methyl]-3-(2-propan-2-ylphenyl)urea?
The IUPAC name of 1-[(1-phenylcyclohexyl)methyl]-3-(2-propan-2-ylphenyl)urea (CID 14977491) is 1-[(1-phenylcyclohexyl)methyl]-3-(2-propan-2-ylphenyl)urea.
What is the SMILES notation for 1-[(1-phenylcyclohexyl)methyl]-3-(2-propan-2-ylphenyl)urea?
The canonical SMILES for 1-[(1-phenylcyclohexyl)methyl]-3-(2-propan-2-ylphenyl)urea is CC(C)c1ccccc1NC(=O)NCC1(c2ccccc2)CCCCC1.
What is the InChIKey of 1-[(1-phenylcyclohexyl)methyl]-3-(2-propan-2-ylphenyl)urea?
The InChIKey is GEOLLGPLRAWCSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O/c1-18(2)20-13-7-8-14-21(20)25-22(26)24-17-23(15-9-4-10-16-23)19-11-5-3-6-12-19/h3,5-8,11-14,18H,4,9-10,15-17H2,1-2H3,(H2,24,25,26).
What are the key properties of 1-[(1-phenylcyclohexyl)methyl]-3-(2-propan-2-ylphenyl)urea?
1-[(1-phenylcyclohexyl)methyl]-3-(2-propan-2-ylphenyl)urea has a molecular weight of 350.51 g/mol, XLogP of 5.83, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-phenylcyclohexyl)methyl]-3-(2-propan-2-ylphenyl)urea is sourced from PubChem (CID 14977491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).