1-cyclohexyl-3-[(1S)-1-(3,4-dimethylphenyl)propyl]urea

C18H28N2O — CID 92689614

IUPAC1-cyclohexyl-3-[(1S)-1-(3,4-dimethylphenyl)propyl]urea
SMILESCC[C@H](NC(=O)NC1CCCCC1)c1ccc(C)c(C)c1
InChIInChI=1S/C18H28N2O/c1-4-17(15-11-10-13(2)14(3)12-15)20-18(21)19-16-8-6-5-7-9-16/h10-12,16-17H,4-9H2,1-3H3,(H2,19,20,21)/t17-/m0/s1
InChIKeyVHOGRVBQLQYGIE-KRWDZBQOSA-N
MW288.44 g/mol
LogP4.39
Rot. Bonds4

About 1-cyclohexyl-3-[(1S)-1-(3,4-dimethylphenyl)propyl]urea

1-cyclohexyl-3-[(1S)-1-(3,4-dimethylphenyl)propyl]urea (PubChem CID 92689614) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is 1-cyclohexyl-3-[(1S)-1-(3,4-dimethylphenyl)propyl]urea.

Molecular Properties

Compound Name1-cyclohexyl-3-[(1S)-1-(3,4-dimethylphenyl)propyl]urea
PubChem CID92689614
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC Name1-cyclohexyl-3-[(1S)-1-(3,4-dimethylphenyl)propyl]urea
SMILESCC[C@H](NC(=O)NC1CCCCC1)c1ccc(C)c(C)c1
InChIInChI=1S/C18H28N2O/c1-4-17(15-11-10-13(2)14(3)12-15)20-18(21)19-16-8-6-5-7-9-16/h10-12,16-17H,4-9H2,1-3H3,(H2,19,20,21)/t17-/m0/s1
InChIKeyVHOGRVBQLQYGIE-KRWDZBQOSA-N
XLogP4.39
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-cyclobutyl-3-(1-phenylpropyl)urea
CID 113233155
2-(cycloheptylamino)-2-(3,4-dimethylphenyl)ethanol
CID 61055162
1-cyclohexyl-3-[(1R)-1-(4-methylphenyl)ethyl]urea
CID 94192175
N-cyclopentyl-3-[1-(4-methoxyphenyl)propylcarbamoylamino]propanamide
CID 60569995
1-cyclopentyl-3-[1-(4-methylphenyl)ethyl]urea
CID 47322191
1-cyclopentyl-3-[1-(4-ethylphenyl)ethyl]urea
CID 47128258
1-cyclopentyl-3-[1-(3,4-dimethylphenyl)ethyl]thiourea
CID 19675012
N-(cyclohexylcarbamoyl)-2-(3,4-dimethylphenoxy)acetamide
CID 7610559
N-[(1R)-1-(3,4-dimethylphenyl)propyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 100705656
(1R,5R)-1,5-dicyclohexyl-1,5-bis(3,4-dimethylphenyl)pentan-3-one
CID 97304221
(3S)-N-[(1S)-1-(3,4-dimethylphenyl)propyl]-1-methylsulfonylpiperidine-3-carboxamide
CID 95118347
1-cycloheptyl-3-(3,4-dimethylphenyl)sulfonylurea
CID 154210091

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-[(1S)-1-(3,4-dimethylphenyl)propyl]urea?
The IUPAC name of 1-cyclohexyl-3-[(1S)-1-(3,4-dimethylphenyl)propyl]urea (CID 92689614) is 1-cyclohexyl-3-[(1S)-1-(3,4-dimethylphenyl)propyl]urea.
What is the SMILES notation for 1-cyclohexyl-3-[(1S)-1-(3,4-dimethylphenyl)propyl]urea?
The canonical SMILES for 1-cyclohexyl-3-[(1S)-1-(3,4-dimethylphenyl)propyl]urea is CC[C@H](NC(=O)NC1CCCCC1)c1ccc(C)c(C)c1.
What is the InChIKey of 1-cyclohexyl-3-[(1S)-1-(3,4-dimethylphenyl)propyl]urea?
The InChIKey is VHOGRVBQLQYGIE-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H28N2O/c1-4-17(15-11-10-13(2)14(3)12-15)20-18(21)19-16-8-6-5-7-9-16/h10-12,16-17H,4-9H2,1-3H3,(H2,19,20,21)/t17-/m0/s1.
What are the key properties of 1-cyclohexyl-3-[(1S)-1-(3,4-dimethylphenyl)propyl]urea?
1-cyclohexyl-3-[(1S)-1-(3,4-dimethylphenyl)propyl]urea has a molecular weight of 288.44 g/mol, XLogP of 4.39, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-[(1S)-1-(3,4-dimethylphenyl)propyl]urea is sourced from PubChem (CID 92689614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).