1-cyclohexyl-3-[1-(2,4-dimethylphenyl)ethyl]urea

C17H26N2O — CID 45153648

IUPAC1-cyclohexyl-3-[1-(2,4-dimethylphenyl)ethyl]urea
SMILESCc1ccc(C(C)NC(=O)NC2CCCCC2)c(C)c1
InChIInChI=1S/C17H26N2O/c1-12-9-10-16(13(2)11-12)14(3)18-17(20)19-15-7-5-4-6-8-15/h9-11,14-15H,4-8H2,1-3H3,(H2,18,19,20)
InChIKeyUYQJEIHTQVWKQS-UHFFFAOYSA-N
MW274.41 g/mol
LogP4.00
Rot. Bonds3

About 1-cyclohexyl-3-[1-(2,4-dimethylphenyl)ethyl]urea

1-cyclohexyl-3-[1-(2,4-dimethylphenyl)ethyl]urea (PubChem CID 45153648) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 1-cyclohexyl-3-[1-(2,4-dimethylphenyl)ethyl]urea.

Molecular Properties

Compound Name1-cyclohexyl-3-[1-(2,4-dimethylphenyl)ethyl]urea
PubChem CID45153648
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name1-cyclohexyl-3-[1-(2,4-dimethylphenyl)ethyl]urea
SMILESCc1ccc(C(C)NC(=O)NC2CCCCC2)c(C)c1
InChIInChI=1S/C17H26N2O/c1-12-9-10-16(13(2)11-12)14(3)18-17(20)19-15-7-5-4-6-8-15/h9-11,14-15H,4-8H2,1-3H3,(H2,18,19,20)
InChIKeyUYQJEIHTQVWKQS-UHFFFAOYSA-N
XLogP4.00
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-cyclohexyl-3-[(1R)-1-(4-methylphenyl)ethyl]urea
CID 94192175
1-cyclopentyl-3-[1-(4-methylphenyl)ethyl]urea
CID 47322191
1-[(1R)-1-(2,4-dimethylphenyl)ethyl]-3-(1-methylcyclobutyl)urea
CID 125448403
N-cyclododecyl-2,4-dimethylbenzamide
CID 19656258
N-[1-(2,4-dimethylphenyl)ethyl]acetamide
CID 17327567
(2R)-N-[1-(2,4-dimethylphenyl)ethyl]piperidine-2-carboxamide
CID 103808925
1-cyclohexyl-3-[(1R)-1-phenylethyl]urea
CID 840473
N-cycloheptyl-2-(2,4-dimethylphenyl)-2-oxoacetamide
CID 94282724
cis-(1R,2S)-N-[(1S)-1-(2,4-dimethylphenyl)ethyl]-2-methylcyclopropane-1-carboxamide
CID 11922138
1-cyclopentyl-3-[1-(2,5-dimethoxyphenyl)ethyl]urea
CID 42928160
N-cyclopentyl-2-(2,4-dimethylphenyl)-2-oxoacetamide
CID 82118308
N-cyclohexyl-2-(2,4-dimethylphenyl)acetamide
CID 56922648

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-[1-(2,4-dimethylphenyl)ethyl]urea?
The IUPAC name of 1-cyclohexyl-3-[1-(2,4-dimethylphenyl)ethyl]urea (CID 45153648) is 1-cyclohexyl-3-[1-(2,4-dimethylphenyl)ethyl]urea.
What is the SMILES notation for 1-cyclohexyl-3-[1-(2,4-dimethylphenyl)ethyl]urea?
The canonical SMILES for 1-cyclohexyl-3-[1-(2,4-dimethylphenyl)ethyl]urea is Cc1ccc(C(C)NC(=O)NC2CCCCC2)c(C)c1.
What is the InChIKey of 1-cyclohexyl-3-[1-(2,4-dimethylphenyl)ethyl]urea?
The InChIKey is UYQJEIHTQVWKQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-12-9-10-16(13(2)11-12)14(3)18-17(20)19-15-7-5-4-6-8-15/h9-11,14-15H,4-8H2,1-3H3,(H2,18,19,20).
What are the key properties of 1-cyclohexyl-3-[1-(2,4-dimethylphenyl)ethyl]urea?
1-cyclohexyl-3-[1-(2,4-dimethylphenyl)ethyl]urea has a molecular weight of 274.41 g/mol, XLogP of 4.00, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-[1-(2,4-dimethylphenyl)ethyl]urea is sourced from PubChem (CID 45153648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).