1-[(3,4-dimethoxyphenyl)methyl]-3-(2-propan-2-ylphenyl)urea

C19H24N2O3 — CID 3613341

IUPAC1-[(3,4-dimethoxyphenyl)methyl]-3-(2-propan-2-ylphenyl)urea
SMILESCOc1ccc(CNC(=O)Nc2ccccc2C(C)C)cc1OC
InChIInChI=1S/C19H24N2O3/c1-13(2)15-7-5-6-8-16(15)21-19(22)20-12-14-9-10-17(23-3)18(11-14)24-4/h5-11,13H,12H2,1-4H3,(H2,20,21,22)
InChIKeyOGSRLIPKMRYFTL-UHFFFAOYSA-N
MW328.41 g/mol
LogP4.15
Rot. Bonds6

About 1-[(3,4-dimethoxyphenyl)methyl]-3-(2-propan-2-ylphenyl)urea

1-[(3,4-dimethoxyphenyl)methyl]-3-(2-propan-2-ylphenyl)urea (PubChem CID 3613341) has the molecular formula C19H24N2O3 and a molecular weight of 328.41 g/mol. Its IUPAC name is 1-[(3,4-dimethoxyphenyl)methyl]-3-(2-propan-2-ylphenyl)urea.

Molecular Properties

Compound Name1-[(3,4-dimethoxyphenyl)methyl]-3-(2-propan-2-ylphenyl)urea
PubChem CID3613341
Molecular FormulaC19H24N2O3
Molecular Weight328.41 g/mol
Exact Mass328.18
IUPAC Name1-[(3,4-dimethoxyphenyl)methyl]-3-(2-propan-2-ylphenyl)urea
SMILESCOc1ccc(CNC(=O)Nc2ccccc2C(C)C)cc1OC
InChIInChI=1S/C19H24N2O3/c1-13(2)15-7-5-6-8-16(15)21-19(22)20-12-14-9-10-17(23-3)18(11-14)24-4/h5-11,13H,12H2,1-4H3,(H2,20,21,22)
InChIKeyOGSRLIPKMRYFTL-UHFFFAOYSA-N
XLogP4.15
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[(3,4-dimethoxyphenyl)methyl]-3-(2-propan-2-ylphenyl)urea 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

1-[(3,4-dimethoxyphenyl)methyl]-3-(2-phenoxyphenyl)urea
CID 52593579
N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-(2-propan-2-ylphenyl)propanediamide
CID 108949731
1-[(3,4-diethoxyphenyl)methyl]-3-(2-methoxyphenyl)urea
CID 100747631
1-[(3-iodophenyl)methyl]-3-(2-propan-2-ylphenyl)urea
CID 3868878
1-(3-chloro-2-methylphenyl)-3-[(3,4-dimethoxyphenyl)methyl]urea
CID 108896725
[2-oxo-2-(2-propan-2-ylanilino)ethyl] 2-(3,4-dimethoxyphenyl)acetate
CID 7959307
1-[(3,4-dimethoxyphenyl)methyl]-3-naphthalen-2-ylurea
CID 38167516
(2S)-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-2-(2-propan-2-ylphenoxy)propanamide
CID 94016454
4-[[4-[[[2,6-di(propan-2-yl)phenyl]carbamoylamino]methyl]-2-methoxyphenoxy]methyl]benzoic acid
CID 70120007
N'-[(4-methoxy-3-propan-2-ylphenyl)methyl]oxamide
CID 115191802
1-[(3,4-dimethoxyphenyl)methyl]-3-[[2-(2-methylpropoxy)phenyl]methyl]urea
CID 60554654
3-[acetyl-[(3,4-dimethoxyphenyl)methyl]amino]-N-(2-propan-2-ylphenyl)propanamide
CID 113122091

Frequently Asked Questions

What is the IUPAC name of 1-[(3,4-dimethoxyphenyl)methyl]-3-(2-propan-2-ylphenyl)urea?
The IUPAC name of 1-[(3,4-dimethoxyphenyl)methyl]-3-(2-propan-2-ylphenyl)urea (CID 3613341) is 1-[(3,4-dimethoxyphenyl)methyl]-3-(2-propan-2-ylphenyl)urea.
What is the SMILES notation for 1-[(3,4-dimethoxyphenyl)methyl]-3-(2-propan-2-ylphenyl)urea?
The canonical SMILES for 1-[(3,4-dimethoxyphenyl)methyl]-3-(2-propan-2-ylphenyl)urea is COc1ccc(CNC(=O)Nc2ccccc2C(C)C)cc1OC.
What is the InChIKey of 1-[(3,4-dimethoxyphenyl)methyl]-3-(2-propan-2-ylphenyl)urea?
The InChIKey is OGSRLIPKMRYFTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3/c1-13(2)15-7-5-6-8-16(15)21-19(22)20-12-14-9-10-17(23-3)18(11-14)24-4/h5-11,13H,12H2,1-4H3,(H2,20,21,22).
What are the key properties of 1-[(3,4-dimethoxyphenyl)methyl]-3-(2-propan-2-ylphenyl)urea?
1-[(3,4-dimethoxyphenyl)methyl]-3-(2-propan-2-ylphenyl)urea has a molecular weight of 328.41 g/mol, XLogP of 4.15, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,4-dimethoxyphenyl)methyl]-3-(2-propan-2-ylphenyl)urea is sourced from PubChem (CID 3613341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).