1-(3,4-dimethylphenyl)-3-(1-hydroxybutan-2-yl)urea

C13H20N2O2 — CID 108894071

IUPAC1-(3,4-dimethylphenyl)-3-(1-hydroxybutan-2-yl)urea
SMILESCCC(CO)NC(=O)Nc1ccc(C)c(C)c1
InChIInChI=1S/C13H20N2O2/c1-4-11(8-16)14-13(17)15-12-6-5-9(2)10(3)7-12/h5-7,11,16H,4,8H2,1-3H3,(H2,14,15,17)
InChIKeyKAONCMBRVFPCDI-UHFFFAOYSA-N
MW236.31 g/mol
LogP2.20
Rot. Bonds4

About 1-(3,4-dimethylphenyl)-3-(1-hydroxybutan-2-yl)urea

1-(3,4-dimethylphenyl)-3-(1-hydroxybutan-2-yl)urea (PubChem CID 108894071) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 1-(3,4-dimethylphenyl)-3-(1-hydroxybutan-2-yl)urea.

Molecular Properties

Compound Name1-(3,4-dimethylphenyl)-3-(1-hydroxybutan-2-yl)urea
PubChem CID108894071
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name1-(3,4-dimethylphenyl)-3-(1-hydroxybutan-2-yl)urea
SMILESCCC(CO)NC(=O)Nc1ccc(C)c(C)c1
InChIInChI=1S/C13H20N2O2/c1-4-11(8-16)14-13(17)15-12-6-5-9(2)10(3)7-12/h5-7,11,16H,4,8H2,1-3H3,(H2,14,15,17)
InChIKeyKAONCMBRVFPCDI-UHFFFAOYSA-N
XLogP2.20
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 52.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,4-dimethylphenyl)-3-(1-hydroxypropan-2-yl)urea
CID 110890307
(2R)-2-[(3,4-dimethylphenyl)carbamoylamino]propanoic acid
CID 54991355
1-(3,5-dihydroxyphenyl)-3-(1-hydroxybutan-2-yl)urea
CID 108895499
N'-butan-2-yl-N-(3,4-dimethylphenyl)oxamide
CID 3102423
1-(3-benzyl-4-methoxyphenyl)-3-(1-hydroxybutan-2-yl)urea
CID 110891041
1-[3-[(dimethylamino)methyl]phenyl]-3-(1-hydroxybutan-2-yl)urea
CID 47202599
1-(3,4-dimethylphenyl)-3-(4-fluorophenyl)urea
CID 27870039
N'-butan-2-yl-N-(3,4-dimethylphenyl)propanediamide
CID 108941829
1-(1-hydroxybutan-2-yl)-3-[3-[methyl(propan-2-yl)amino]phenyl]urea
CID 111111753
2-[(3,4-dimethylphenyl)carbamoylamino]pentanedioic acid
CID 61189965
1-[4-[ethyl(propan-2-yl)amino]phenyl]-3-(1-hydroxybutan-2-yl)urea
CID 110890686
1-hexan-3-yl-3-(4-methylphenyl)urea
CID 134360432

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylphenyl)-3-(1-hydroxybutan-2-yl)urea?
The IUPAC name of 1-(3,4-dimethylphenyl)-3-(1-hydroxybutan-2-yl)urea (CID 108894071) is 1-(3,4-dimethylphenyl)-3-(1-hydroxybutan-2-yl)urea.
What is the SMILES notation for 1-(3,4-dimethylphenyl)-3-(1-hydroxybutan-2-yl)urea?
The canonical SMILES for 1-(3,4-dimethylphenyl)-3-(1-hydroxybutan-2-yl)urea is CCC(CO)NC(=O)Nc1ccc(C)c(C)c1.
What is the InChIKey of 1-(3,4-dimethylphenyl)-3-(1-hydroxybutan-2-yl)urea?
The InChIKey is KAONCMBRVFPCDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-4-11(8-16)14-13(17)15-12-6-5-9(2)10(3)7-12/h5-7,11,16H,4,8H2,1-3H3,(H2,14,15,17).
What are the key properties of 1-(3,4-dimethylphenyl)-3-(1-hydroxybutan-2-yl)urea?
1-(3,4-dimethylphenyl)-3-(1-hydroxybutan-2-yl)urea has a molecular weight of 236.31 g/mol, XLogP of 2.20, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylphenyl)-3-(1-hydroxybutan-2-yl)urea is sourced from PubChem (CID 108894071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).