1-butyl-3-(2,4-dimethoxyphenyl)-1-methylurea

C14H22N2O3 — CID 23849485

IUPAC1-butyl-3-(2,4-dimethoxyphenyl)-1-methylurea
SMILESCCCCN(C)C(=O)Nc1ccc(OC)cc1OC
InChIInChI=1S/C14H22N2O3/c1-5-6-9-16(2)14(17)15-12-8-7-11(18-3)10-13(12)19-4/h7-8,10H,5-6,9H2,1-4H3,(H,15,17)
InChIKeyHGTQODNNYKVTEB-UHFFFAOYSA-N
MW266.34 g/mol
LogP2.97
Rot. Bonds6

About 1-butyl-3-(2,4-dimethoxyphenyl)-1-methylurea

1-butyl-3-(2,4-dimethoxyphenyl)-1-methylurea (PubChem CID 23849485) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is 1-butyl-3-(2,4-dimethoxyphenyl)-1-methylurea.

Molecular Properties

Compound Name1-butyl-3-(2,4-dimethoxyphenyl)-1-methylurea
PubChem CID23849485
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Name1-butyl-3-(2,4-dimethoxyphenyl)-1-methylurea
SMILESCCCCN(C)C(=O)Nc1ccc(OC)cc1OC
InChIInChI=1S/C14H22N2O3/c1-5-6-9-16(2)14(17)15-12-8-7-11(18-3)10-13(12)19-4/h7-8,10H,5-6,9H2,1-4H3,(H,15,17)
InChIKeyHGTQODNNYKVTEB-UHFFFAOYSA-N
XLogP2.97
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-butyl-3-(2,4-dimethoxyphenyl)-1-methylurea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-butyl-N-(2,5-dimethoxyphenyl)-N'-methyloxamide
CID 108511949
1-[2-(dibutylamino)ethyl]-3-(2,4-dimethoxyphenyl)urea
CID 74226685
2-[butyl(methylsulfonyl)amino]-N-(2,4-dimethoxyphenyl)acetamide
CID 113148373
N-(2,4-dimethoxyphenyl)-2-[methyl(propyl)amino]acetamide
CID 47085287
N-(2,4-dimethoxyphenyl)undecanamide
CID 4139645
2-[butyl(methyl)amino]-N-(2,4-dimethoxyphenyl)pyrimidine-5-carboxamide
CID 109264034
3-(2,4-dimethoxyphenyl)-1-methyl-1-[2-[(2R)-oxan-2-yl]ethyl]urea
CID 124523163
N'-(2,4-dimethoxyphenyl)-N-propyloxamide
CID 44995967
6-[butyl(methyl)amino]-N-(2,4-dimethoxyphenyl)-2-methylpyrimidine-4-carboxamide
CID 112846968
2,4-dimethoxy-N-pentylaniline
CID 28570496
N-(2,4-dimethoxyphenyl)-3-(pentylamino)propanamide
CID 109032275
ethyl N-(2,4-dimethoxyphenyl)carbamate
CID 2741048

Frequently Asked Questions

What is the IUPAC name of 1-butyl-3-(2,4-dimethoxyphenyl)-1-methylurea?
The IUPAC name of 1-butyl-3-(2,4-dimethoxyphenyl)-1-methylurea (CID 23849485) is 1-butyl-3-(2,4-dimethoxyphenyl)-1-methylurea.
What is the SMILES notation for 1-butyl-3-(2,4-dimethoxyphenyl)-1-methylurea?
The canonical SMILES for 1-butyl-3-(2,4-dimethoxyphenyl)-1-methylurea is CCCCN(C)C(=O)Nc1ccc(OC)cc1OC.
What is the InChIKey of 1-butyl-3-(2,4-dimethoxyphenyl)-1-methylurea?
The InChIKey is HGTQODNNYKVTEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-5-6-9-16(2)14(17)15-12-8-7-11(18-3)10-13(12)19-4/h7-8,10H,5-6,9H2,1-4H3,(H,15,17).
What are the key properties of 1-butyl-3-(2,4-dimethoxyphenyl)-1-methylurea?
1-butyl-3-(2,4-dimethoxyphenyl)-1-methylurea has a molecular weight of 266.34 g/mol, XLogP of 2.97, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-3-(2,4-dimethoxyphenyl)-1-methylurea is sourced from PubChem (CID 23849485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).