1-(2,4-dimethylphenyl)-3-(3-oxobutyl)urea

C13H18N2O2 — CID 108895054

IUPAC1-(2,4-dimethylphenyl)-3-(3-oxobutyl)urea
SMILESCC(=O)CCNC(=O)Nc1ccc(C)cc1C
InChIInChI=1S/C13H18N2O2/c1-9-4-5-12(10(2)8-9)15-13(17)14-7-6-11(3)16/h4-5,8H,6-7H2,1-3H3,(H2,14,15,17)
InChIKeyPWHIVMQYMGLTMX-UHFFFAOYSA-N
MW234.30 g/mol
LogP2.40
Rot. Bonds4

About 1-(2,4-dimethylphenyl)-3-(3-oxobutyl)urea

1-(2,4-dimethylphenyl)-3-(3-oxobutyl)urea (PubChem CID 108895054) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 1-(2,4-dimethylphenyl)-3-(3-oxobutyl)urea.

Molecular Properties

Compound Name1-(2,4-dimethylphenyl)-3-(3-oxobutyl)urea
PubChem CID108895054
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name1-(2,4-dimethylphenyl)-3-(3-oxobutyl)urea
SMILESCC(=O)CCNC(=O)Nc1ccc(C)cc1C
InChIInChI=1S/C13H18N2O2/c1-9-4-5-12(10(2)8-9)15-13(17)14-7-6-11(3)16/h4-5,8H,6-7H2,1-3H3,(H2,14,15,17)
InChIKeyPWHIVMQYMGLTMX-UHFFFAOYSA-N
XLogP2.40
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,4-dimethylphenyl)-3-(2-methoxyethyl)urea
CID 5054028
1-(2,4-dimethylphenyl)-3-[2-(2,4-dimethylphenyl)ethyl]urea
CID 3766021
1-(2,4-dimethylphenyl)-3-prop-2-ynylurea
CID 97180603
methyl 7-[(2,4-dimethylphenyl)carbamoylamino]heptanoate
CID 75526025
1-(2,4-dimethylphenyl)-3-[2-(4-methylphenoxy)ethyl]urea
CID 112970080
1-(2,4-dimethylphenyl)-3-[2-(4-methoxyphenyl)ethyl]urea
CID 108901898
3-[(4-bromo-2-methylphenyl)carbamoylamino]propanoic acid
CID 61181043
1-(2,4-dimethylphenyl)-3-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]urea
CID 121121388
1-[2-(4-chlorophenoxy)ethyl]-3-(2,4-dimethylphenyl)urea
CID 52590780
N-(2-chloroethyl)-N'-(2,4-dimethylphenyl)oxamide
CID 108513846
1-(2,4-dimethylphenyl)-3-[2-[(1R,2R,6R,7R)-3,5-dioxo-4-azatricyclo[5.2.2.02,6]undec-8-en-4-yl]ethyl]urea
CID 100575776
N,N'-bis(2,4-dimethylphenyl)oxamide
CID 3416969

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylphenyl)-3-(3-oxobutyl)urea?
The IUPAC name of 1-(2,4-dimethylphenyl)-3-(3-oxobutyl)urea (CID 108895054) is 1-(2,4-dimethylphenyl)-3-(3-oxobutyl)urea.
What is the SMILES notation for 1-(2,4-dimethylphenyl)-3-(3-oxobutyl)urea?
The canonical SMILES for 1-(2,4-dimethylphenyl)-3-(3-oxobutyl)urea is CC(=O)CCNC(=O)Nc1ccc(C)cc1C.
What is the InChIKey of 1-(2,4-dimethylphenyl)-3-(3-oxobutyl)urea?
The InChIKey is PWHIVMQYMGLTMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-9-4-5-12(10(2)8-9)15-13(17)14-7-6-11(3)16/h4-5,8H,6-7H2,1-3H3,(H2,14,15,17).
What are the key properties of 1-(2,4-dimethylphenyl)-3-(3-oxobutyl)urea?
1-(2,4-dimethylphenyl)-3-(3-oxobutyl)urea has a molecular weight of 234.30 g/mol, XLogP of 2.40, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethylphenyl)-3-(3-oxobutyl)urea is sourced from PubChem (CID 108895054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).