1-benzyl-3-(3,4-dimethoxyphenyl)-1-propan-2-ylurea

C19H24N2O3 — CID 108866155

IUPAC1-benzyl-3-(3,4-dimethoxyphenyl)-1-propan-2-ylurea
SMILESCOc1ccc(NC(=O)N(Cc2ccccc2)C(C)C)cc1OC
InChIInChI=1S/C19H24N2O3/c1-14(2)21(13-15-8-6-5-7-9-15)19(22)20-16-10-11-17(23-3)18(12-16)24-4/h5-12,14H,13H2,1-4H3,(H,20,22)
InChIKeyHJCSGNWEABXXIZ-UHFFFAOYSA-N
MW328.41 g/mol
LogP4.15
Rot. Bonds6

About 1-benzyl-3-(3,4-dimethoxyphenyl)-1-propan-2-ylurea

1-benzyl-3-(3,4-dimethoxyphenyl)-1-propan-2-ylurea (PubChem CID 108866155) has the molecular formula C19H24N2O3 and a molecular weight of 328.41 g/mol. Its IUPAC name is 1-benzyl-3-(3,4-dimethoxyphenyl)-1-propan-2-ylurea.

Molecular Properties

Compound Name1-benzyl-3-(3,4-dimethoxyphenyl)-1-propan-2-ylurea
PubChem CID108866155
Molecular FormulaC19H24N2O3
Molecular Weight328.41 g/mol
Exact Mass328.18
IUPAC Name1-benzyl-3-(3,4-dimethoxyphenyl)-1-propan-2-ylurea
SMILESCOc1ccc(NC(=O)N(Cc2ccccc2)C(C)C)cc1OC
InChIInChI=1S/C19H24N2O3/c1-14(2)21(13-15-8-6-5-7-9-15)19(22)20-16-10-11-17(23-3)18(12-16)24-4/h5-12,14H,13H2,1-4H3,(H,20,22)
InChIKeyHJCSGNWEABXXIZ-UHFFFAOYSA-N
XLogP4.15
TPSA50.80 Ų
H-Bond Donors1
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 ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-benzyl-3-(3,4-dimethoxyphenyl)-1-propan-2-ylurea 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-benzyl-3-phenyl-1-propan-2-ylurea;ethane
CID 160933231
N-benzyl-3,4-dimethoxy-N-propan-2-ylbenzamide
CID 807482
1-benzyl-3-(3-methylphenyl)-1-propan-2-ylurea
CID 51295493
2-[benzyl(methyl)amino]-N-(3,4-dimethoxyphenyl)acetamide
CID 8901253
[3-[[benzyl(propan-2-yl)carbamoyl]amino]phenyl] acetate
CID 108865087
1-benzyl-3-[2-(2-methoxyphenoxy)ethyl]-1-propan-2-ylurea
CID 112971419
N'-benzyl-N-[(3,4-dimethoxyphenyl)methyl]-N'-propan-2-yloxamide
CID 108985863
N'-benzyl-N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-propan-2-yloxamide
CID 108503366
[2-methoxy-5-[[propan-2-yl-[(4-propan-2-ylphenyl)carbamoyl]amino]methyl]phenyl] methanesulfonate
CID 3624258
1-benzyl-3-[(2-methoxyphenyl)methyl]-1-propan-2-ylurea
CID 108897327
2-[(3,4-dimethoxyphenyl)carbamoyl-methylamino]propanoic acid
CID 62637175
3-[benzyl(ethyl)amino]-N-(3,4-dimethoxyphenyl)propanamide
CID 109023106

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-(3,4-dimethoxyphenyl)-1-propan-2-ylurea?
The IUPAC name of 1-benzyl-3-(3,4-dimethoxyphenyl)-1-propan-2-ylurea (CID 108866155) is 1-benzyl-3-(3,4-dimethoxyphenyl)-1-propan-2-ylurea.
What is the SMILES notation for 1-benzyl-3-(3,4-dimethoxyphenyl)-1-propan-2-ylurea?
The canonical SMILES for 1-benzyl-3-(3,4-dimethoxyphenyl)-1-propan-2-ylurea is COc1ccc(NC(=O)N(Cc2ccccc2)C(C)C)cc1OC.
What is the InChIKey of 1-benzyl-3-(3,4-dimethoxyphenyl)-1-propan-2-ylurea?
The InChIKey is HJCSGNWEABXXIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3/c1-14(2)21(13-15-8-6-5-7-9-15)19(22)20-16-10-11-17(23-3)18(12-16)24-4/h5-12,14H,13H2,1-4H3,(H,20,22).
What are the key properties of 1-benzyl-3-(3,4-dimethoxyphenyl)-1-propan-2-ylurea?
1-benzyl-3-(3,4-dimethoxyphenyl)-1-propan-2-ylurea has a molecular weight of 328.41 g/mol, XLogP of 4.15, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-(3,4-dimethoxyphenyl)-1-propan-2-ylurea is sourced from PubChem (CID 108866155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).