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

C14H20N2O2 — CID 110612624

IUPAC1-(5-acetyl-2-methylphenyl)-3-(2-methylpropyl)urea
SMILESCC(=O)c1ccc(C)c(NC(=O)NCC(C)C)c1
InChIInChI=1S/C14H20N2O2/c1-9(2)8-15-14(18)16-13-7-12(11(4)17)6-5-10(13)3/h5-7,9H,8H2,1-4H3,(H2,15,16,18)
InChIKeyDKTKCJFLFZDYSL-UHFFFAOYSA-N
MW248.33 g/mol
LogP2.98
Rot. Bonds4

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

1-(5-acetyl-2-methylphenyl)-3-(2-methylpropyl)urea (PubChem CID 110612624) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 1-(5-acetyl-2-methylphenyl)-3-(2-methylpropyl)urea.

Molecular Properties

Compound Name1-(5-acetyl-2-methylphenyl)-3-(2-methylpropyl)urea
PubChem CID110612624
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name1-(5-acetyl-2-methylphenyl)-3-(2-methylpropyl)urea
SMILESCC(=O)c1ccc(C)c(NC(=O)NCC(C)C)c1
InChIInChI=1S/C14H20N2O2/c1-9(2)8-15-14(18)16-13-7-12(11(4)17)6-5-10(13)3/h5-7,9H,8H2,1-4H3,(H2,15,16,18)
InChIKeyDKTKCJFLFZDYSL-UHFFFAOYSA-N
XLogP2.98
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-acetyl-2-methylphenyl)-3-(3-methylbutyl)urea
CID 110618442
1-(5-acetyl-2-methylphenyl)-3-butan-2-ylurea
CID 110612625
3-(2-methoxypropylcarbamoylamino)-4-methylbenzoic acid
CID 102699684
N-ethyl-3-methyl-4-(2-methylpropylcarbamoylamino)benzamide
CID 47264617
1-[4-methyl-3-(propan-2-ylamino)phenyl]ethanone
CID 59080758
1-[(2S)-2-(diethylamino)propyl]-3-(2,5-dimethylphenyl)urea
CID 51943970
2-methyl-5-(2-methylpropylcarbamoylamino)benzoic acid
CID 63652124
4-chloro-N-methyl-3-(2-methylpropylcarbamoylamino)benzamide
CID 47223817
N-[(2R)-butan-2-yl]-3-methyl-4-(2-methylpropylcarbamoylamino)benzamide
CID 95266886
N-[(2S)-butan-2-yl]-3-methyl-4-(2-methylpropylcarbamoylamino)benzamide
CID 95266887
1-(4-bromo-5-fluoro-2-methylphenyl)-3-(2-methylpropyl)urea
CID 161143801
4-methyl-3-(2-methylprop-2-enylcarbamoylamino)benzoic acid
CID 114618004

Frequently Asked Questions

What is the IUPAC name of 1-(5-acetyl-2-methylphenyl)-3-(2-methylpropyl)urea?
The IUPAC name of 1-(5-acetyl-2-methylphenyl)-3-(2-methylpropyl)urea (CID 110612624) is 1-(5-acetyl-2-methylphenyl)-3-(2-methylpropyl)urea.
What is the SMILES notation for 1-(5-acetyl-2-methylphenyl)-3-(2-methylpropyl)urea?
The canonical SMILES for 1-(5-acetyl-2-methylphenyl)-3-(2-methylpropyl)urea is CC(=O)c1ccc(C)c(NC(=O)NCC(C)C)c1.
What is the InChIKey of 1-(5-acetyl-2-methylphenyl)-3-(2-methylpropyl)urea?
The InChIKey is DKTKCJFLFZDYSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-9(2)8-15-14(18)16-13-7-12(11(4)17)6-5-10(13)3/h5-7,9H,8H2,1-4H3,(H2,15,16,18).
What are the key properties of 1-(5-acetyl-2-methylphenyl)-3-(2-methylpropyl)urea?
1-(5-acetyl-2-methylphenyl)-3-(2-methylpropyl)urea has a molecular weight of 248.33 g/mol, XLogP of 2.98, 4 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-(2-methylpropyl)urea is sourced from PubChem (CID 110612624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).