1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(1-methylindol-5-yl)urea

C20H23N3O3 — CID 121239700

IUPAC1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(1-methylindol-5-yl)urea
SMILESCOc1ccc(CCNC(=O)Nc2ccc3c(ccn3C)c2)cc1OC
InChIInChI=1S/C20H23N3O3/c1-23-11-9-15-13-16(5-6-17(15)23)22-20(24)21-10-8-14-4-7-18(25-2)19(12-14)26-3/h4-7,9,11-13H,8,10H2,1-3H3,(H2,21,22,24)
InChIKeyZPXOIQDBTFBZNO-UHFFFAOYSA-N
MW353.42 g/mol
LogP3.56
Rot. Bonds6

About 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(1-methylindol-5-yl)urea

1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(1-methylindol-5-yl)urea (PubChem CID 121239700) has the molecular formula C20H23N3O3 and a molecular weight of 353.42 g/mol. Its IUPAC name is 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(1-methylindol-5-yl)urea.

Molecular Properties

Compound Name1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(1-methylindol-5-yl)urea
PubChem CID121239700
Molecular FormulaC20H23N3O3
Molecular Weight353.42 g/mol
Exact Mass353.17
IUPAC Name1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(1-methylindol-5-yl)urea
SMILESCOc1ccc(CCNC(=O)Nc2ccc3c(ccn3C)c2)cc1OC
InChIInChI=1S/C20H23N3O3/c1-23-11-9-15-13-16(5-6-17(15)23)22-20(24)21-10-8-14-4-7-18(25-2)19(12-14)26-3/h4-7,9,11-13H,8,10H2,1-3H3,(H2,21,22,24)
InChIKeyZPXOIQDBTFBZNO-UHFFFAOYSA-N
XLogP3.56
TPSA64.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(1-methylindol-5-yl)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-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-methoxy-3-methylphenyl)urea
CID 60544439
1-(3-bromo-4-methylphenyl)-3-[2-(3,4-dimethoxyphenyl)ethyl]urea
CID 108989692
4-[2-(3,4-dimethoxyphenyl)ethylcarbamoylamino]benzoic acid
CID 108891296
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2,3-dimethylquinoxalin-6-yl)urea
CID 108885476
N-[(3,4-dimethoxyphenyl)methyl]-1-methylindol-5-amine
CID 82538657
1-[3-(difluoromethoxy)-4-methoxyphenyl]-3-[2-(3,4-dimethoxyphenyl)ethyl]urea
CID 32523814
(2S)-1-[2-(3,4-dimethoxyphenyl)ethyl]-2-methyl-N-(1-methylindol-5-yl)-5-oxopyrrolidine-2-carboxamide
CID 1496652
1-(2,6-dimethoxyphenyl)-3-[2-(3,4-dimethoxyphenyl)ethyl]urea
CID 108867817
1-(3,4-dimethoxyphenyl)-3-[2-(3,4-dimethoxyphenyl)ethyl]thiourea
CID 4993331
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[2-(4-methoxyphenyl)ethyl]urea
CID 51290944
N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-(1,3-dimethyl-2-oxobenzimidazol-5-yl)oxamide
CID 49295966
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(3-pyrazol-1-ylphenyl)urea
CID 55746297

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(1-methylindol-5-yl)urea?
The IUPAC name of 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(1-methylindol-5-yl)urea (CID 121239700) is 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(1-methylindol-5-yl)urea.
What is the SMILES notation for 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(1-methylindol-5-yl)urea?
The canonical SMILES for 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(1-methylindol-5-yl)urea is COc1ccc(CCNC(=O)Nc2ccc3c(ccn3C)c2)cc1OC.
What is the InChIKey of 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(1-methylindol-5-yl)urea?
The InChIKey is ZPXOIQDBTFBZNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3/c1-23-11-9-15-13-16(5-6-17(15)23)22-20(24)21-10-8-14-4-7-18(25-2)19(12-14)26-3/h4-7,9,11-13H,8,10H2,1-3H3,(H2,21,22,24).
What are the key properties of 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(1-methylindol-5-yl)urea?
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(1-methylindol-5-yl)urea has a molecular weight of 353.42 g/mol, XLogP of 3.56, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(1-methylindol-5-yl)urea is sourced from PubChem (CID 121239700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).