1-(5-acetyl-2-methylphenyl)-3-(3-methylbutyl)urea

C15H22N2O2 — CID 110618442

IUPAC1-(5-acetyl-2-methylphenyl)-3-(3-methylbutyl)urea
SMILESCC(=O)c1ccc(C)c(NC(=O)NCCC(C)C)c1
InChIInChI=1S/C15H22N2O2/c1-10(2)7-8-16-15(19)17-14-9-13(12(4)18)6-5-11(14)3/h5-6,9-10H,7-8H2,1-4H3,(H2,16,17,19)
InChIKeyAFNGGLFPRRWBGQ-UHFFFAOYSA-N
MW262.35 g/mol
LogP3.37
Rot. Bonds5

About 1-(5-acetyl-2-methylphenyl)-3-(3-methylbutyl)urea

1-(5-acetyl-2-methylphenyl)-3-(3-methylbutyl)urea (PubChem CID 110618442) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 1-(5-acetyl-2-methylphenyl)-3-(3-methylbutyl)urea.

Molecular Properties

Compound Name1-(5-acetyl-2-methylphenyl)-3-(3-methylbutyl)urea
PubChem CID110618442
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name1-(5-acetyl-2-methylphenyl)-3-(3-methylbutyl)urea
SMILESCC(=O)c1ccc(C)c(NC(=O)NCCC(C)C)c1
InChIInChI=1S/C15H22N2O2/c1-10(2)7-8-16-15(19)17-14-9-13(12(4)18)6-5-11(14)3/h5-6,9-10H,7-8H2,1-4H3,(H2,16,17,19)
InChIKeyAFNGGLFPRRWBGQ-UHFFFAOYSA-N
XLogP3.37
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-acetyl-2-methylphenyl)-3-(2-methylpropyl)urea
CID 110612624
1-(5-acetyl-2-methylphenyl)-3-butan-2-ylurea
CID 110612625
4-bromo-3-(3-methylbutylcarbamoylamino)benzoic acid
CID 114003998
1-(2,3-dimethylphenyl)-3-(3-methylbutyl)urea
CID 47192192
3-fluoro-4-(3-methylbutylcarbamoylamino)benzoic acid
CID 63189885
1-[4-methyl-3-(propan-2-ylamino)phenyl]ethanone
CID 59080758
4-methyl-3-(2-methylprop-2-enylcarbamoylamino)benzoic acid
CID 114618004
methyl 3-(dimethylamino)-4-(3-methylbutylcarbamoylamino)benzoate
CID 99795845
1-(4-amino-2-chlorophenyl)-3-(3-methylbutyl)urea
CID 127574183
3-(2-methoxypropylcarbamoylamino)-4-methylbenzoic acid
CID 102699684
1-(2-tert-butylphenyl)-3-(3-methylbutyl)urea
CID 47195294
N,N,4-trimethyl-3-(pentan-2-ylcarbamoylamino)benzamide
CID 47041438

Frequently Asked Questions

What is the IUPAC name of 1-(5-acetyl-2-methylphenyl)-3-(3-methylbutyl)urea?
The IUPAC name of 1-(5-acetyl-2-methylphenyl)-3-(3-methylbutyl)urea (CID 110618442) is 1-(5-acetyl-2-methylphenyl)-3-(3-methylbutyl)urea.
What is the SMILES notation for 1-(5-acetyl-2-methylphenyl)-3-(3-methylbutyl)urea?
The canonical SMILES for 1-(5-acetyl-2-methylphenyl)-3-(3-methylbutyl)urea is CC(=O)c1ccc(C)c(NC(=O)NCCC(C)C)c1.
What is the InChIKey of 1-(5-acetyl-2-methylphenyl)-3-(3-methylbutyl)urea?
The InChIKey is AFNGGLFPRRWBGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-10(2)7-8-16-15(19)17-14-9-13(12(4)18)6-5-11(14)3/h5-6,9-10H,7-8H2,1-4H3,(H2,16,17,19).
What are the key properties of 1-(5-acetyl-2-methylphenyl)-3-(3-methylbutyl)urea?
1-(5-acetyl-2-methylphenyl)-3-(3-methylbutyl)urea has a molecular weight of 262.35 g/mol, XLogP of 3.37, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-acetyl-2-methylphenyl)-3-(3-methylbutyl)urea is sourced from PubChem (CID 110618442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).