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

C13H18N2O4 — CID 108895113

IUPAC1-(2,4-dimethoxyphenyl)-3-(3-oxobutyl)urea
SMILESCOc1ccc(NC(=O)NCCC(C)=O)c(OC)c1
InChIInChI=1S/C13H18N2O4/c1-9(16)6-7-14-13(17)15-11-5-4-10(18-2)8-12(11)19-3/h4-5,8H,6-7H2,1-3H3,(H2,14,15,17)
InChIKeyDHPIQZLCARKOAA-UHFFFAOYSA-N
MW266.30 g/mol
LogP1.80
Rot. Bonds6

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

1-(2,4-dimethoxyphenyl)-3-(3-oxobutyl)urea (PubChem CID 108895113) has the molecular formula C13H18N2O4 and a molecular weight of 266.30 g/mol. Its IUPAC name is 1-(2,4-dimethoxyphenyl)-3-(3-oxobutyl)urea.

Molecular Properties

Compound Name1-(2,4-dimethoxyphenyl)-3-(3-oxobutyl)urea
PubChem CID108895113
Molecular FormulaC13H18N2O4
Molecular Weight266.30 g/mol
Exact Mass266.13
IUPAC Name1-(2,4-dimethoxyphenyl)-3-(3-oxobutyl)urea
SMILESCOc1ccc(NC(=O)NCCC(C)=O)c(OC)c1
InChIInChI=1S/C13H18N2O4/c1-9(16)6-7-14-13(17)15-11-5-4-10(18-2)8-12(11)19-3/h4-5,8H,6-7H2,1-3H3,(H2,14,15,17)
InChIKeyDHPIQZLCARKOAA-UHFFFAOYSA-N
XLogP1.80
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(2,4-dimethoxyanilino)-3-oxopropyl]-2-methylpropanamide
CID 50875892
1-[2-(4-bromophenyl)ethyl]-3-(2,4-dimethoxyphenyl)urea
CID 108902358
1-(2,4-dimethoxyphenyl)-3-(3-phenoxypropyl)urea
CID 108883150
1-[2-(dibutylamino)ethyl]-3-(2,4-dimethoxyphenyl)urea
CID 74226685
1-(2,4-dimethoxyphenyl)-3-(3-hydroxy-3-phenylpropyl)urea
CID 90499727
4-[2-[(2,4-dimethoxyphenyl)carbamoylamino]ethyl]-N-hydroxybenzamide
CID 87384431
1-[(4-chlorophenyl)methyl]-3-(2,4-dimethoxyphenyl)urea
CID 17283665
1-(2,4-dimethoxyphenyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea
CID 108989677
1-(2,4-dimethoxyphenyl)-3-[2-(4,5-dimethylthiophen-3-yl)ethyl]urea
CID 22575175
N-[3-[(2,4-dimethoxyphenyl)carbamoylamino]propyl]-2-fluorobenzamide
CID 47987974
1-(2,4-dimethoxyphenyl)-3-(propan-2-ylideneamino)urea
CID 11988328
N-[4-[3-[(2,4-dimethoxyphenyl)carbamoylamino]prop-1-ynyl]phenyl]acetamide
CID 90554177

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethoxyphenyl)-3-(3-oxobutyl)urea?
The IUPAC name of 1-(2,4-dimethoxyphenyl)-3-(3-oxobutyl)urea (CID 108895113) is 1-(2,4-dimethoxyphenyl)-3-(3-oxobutyl)urea.
What is the SMILES notation for 1-(2,4-dimethoxyphenyl)-3-(3-oxobutyl)urea?
The canonical SMILES for 1-(2,4-dimethoxyphenyl)-3-(3-oxobutyl)urea is COc1ccc(NC(=O)NCCC(C)=O)c(OC)c1.
What is the InChIKey of 1-(2,4-dimethoxyphenyl)-3-(3-oxobutyl)urea?
The InChIKey is DHPIQZLCARKOAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4/c1-9(16)6-7-14-13(17)15-11-5-4-10(18-2)8-12(11)19-3/h4-5,8H,6-7H2,1-3H3,(H2,14,15,17).
What are the key properties of 1-(2,4-dimethoxyphenyl)-3-(3-oxobutyl)urea?
1-(2,4-dimethoxyphenyl)-3-(3-oxobutyl)urea has a molecular weight of 266.30 g/mol, XLogP of 1.80, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethoxyphenyl)-3-(3-oxobutyl)urea is sourced from PubChem (CID 108895113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).