1,1-dicyclohexyl-3-(4-propan-2-ylphenyl)urea

C22H34N2O — CID 4171224

IUPAC1,1-dicyclohexyl-3-(4-propan-2-ylphenyl)urea
SMILESCC(C)c1ccc(NC(=O)N(C2CCCCC2)C2CCCCC2)cc1
InChIInChI=1S/C22H34N2O/c1-17(2)18-13-15-19(16-14-18)23-22(25)24(20-9-5-3-6-10-20)21-11-7-4-8-12-21/h13-17,20-21H,3-12H2,1-2H3,(H,23,25)
InChIKeyLWPVWCBEEORONK-UHFFFAOYSA-N
MW342.53 g/mol
LogP6.31
Rot. Bonds4

About 1,1-dicyclohexyl-3-(4-propan-2-ylphenyl)urea

1,1-dicyclohexyl-3-(4-propan-2-ylphenyl)urea (PubChem CID 4171224) has the molecular formula C22H34N2O and a molecular weight of 342.53 g/mol. Its IUPAC name is 1,1-dicyclohexyl-3-(4-propan-2-ylphenyl)urea.

Molecular Properties

Compound Name1,1-dicyclohexyl-3-(4-propan-2-ylphenyl)urea
PubChem CID4171224
Molecular FormulaC22H34N2O
Molecular Weight342.53 g/mol
Exact Mass342.27
IUPAC Name1,1-dicyclohexyl-3-(4-propan-2-ylphenyl)urea
SMILESCC(C)c1ccc(NC(=O)N(C2CCCCC2)C2CCCCC2)cc1
InChIInChI=1S/C22H34N2O/c1-17(2)18-13-15-19(16-14-18)23-22(25)24(20-9-5-3-6-10-20)21-11-7-4-8-12-21/h13-17,20-21H,3-12H2,1-2H3,(H,23,25)
InChIKeyLWPVWCBEEORONK-UHFFFAOYSA-N
XLogP6.31
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.53
LogP ≤ 56.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

methyl 3-[cyclohexyl-[(4-propan-2-ylphenyl)carbamoyl]amino]propanoate
CID 42697074
N-(4-propan-2-ylphenyl)cyclohexanecarboxamide
CID 849011
3-[acetyl(cyclohexyl)amino]-N-(4-propan-2-ylphenyl)propanamide
CID 113116612
2-[cyclopropyl-[(4-propan-2-ylphenyl)carbamoyl]amino]acetic acid
CID 61185121
1-cyclopentyl-1-methyl-3-[4-[1-(methylamino)ethyl]phenyl]urea
CID 61339495
N-[4-(4-propan-2-ylanilino)phenyl]cyclobutanecarboxamide
CID 112986646
2-cyclopentyl-N-(4-propan-2-ylphenyl)acetamide
CID 11839703
3-(4-aminophenyl)-1-cycloheptyl-1-methylurea
CID 43614356
cyclopentyl-dimethyl-[2-oxo-2-(4-propan-2-ylanilino)ethyl]azanium
CID 8875930
ethane;N-(4-propan-2-ylphenyl)cyclopropanecarboxamide
CID 143709659
1-N-cyclohexyl-4-N-(4-propan-2-ylphenyl)benzene-1,4-dicarboxamide
CID 109044795
3-[4-(1-aminoethyl)phenyl]-1-(cyclobutylmethyl)-1-ethylurea
CID 107400737

Frequently Asked Questions

What is the IUPAC name of 1,1-dicyclohexyl-3-(4-propan-2-ylphenyl)urea?
The IUPAC name of 1,1-dicyclohexyl-3-(4-propan-2-ylphenyl)urea (CID 4171224) is 1,1-dicyclohexyl-3-(4-propan-2-ylphenyl)urea.
What is the SMILES notation for 1,1-dicyclohexyl-3-(4-propan-2-ylphenyl)urea?
The canonical SMILES for 1,1-dicyclohexyl-3-(4-propan-2-ylphenyl)urea is CC(C)c1ccc(NC(=O)N(C2CCCCC2)C2CCCCC2)cc1.
What is the InChIKey of 1,1-dicyclohexyl-3-(4-propan-2-ylphenyl)urea?
The InChIKey is LWPVWCBEEORONK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N2O/c1-17(2)18-13-15-19(16-14-18)23-22(25)24(20-9-5-3-6-10-20)21-11-7-4-8-12-21/h13-17,20-21H,3-12H2,1-2H3,(H,23,25).
What are the key properties of 1,1-dicyclohexyl-3-(4-propan-2-ylphenyl)urea?
1,1-dicyclohexyl-3-(4-propan-2-ylphenyl)urea has a molecular weight of 342.53 g/mol, XLogP of 6.31, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dicyclohexyl-3-(4-propan-2-ylphenyl)urea is sourced from PubChem (CID 4171224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).