1-[2-(1H-indol-3-yl)ethyl]-3-[(4-methoxyphenyl)methyl]urea

C19H21N3O2 — CID 907037

IUPAC1-[2-(1H-indol-3-yl)ethyl]-3-[(4-methoxyphenyl)methyl]urea
SMILESCOc1ccc(CNC(=O)NCCc2c[nH]c3ccccc23)cc1
InChIInChI=1S/C19H21N3O2/c1-24-16-8-6-14(7-9-16)12-22-19(23)20-11-10-15-13-21-18-5-3-2-4-17(15)18/h2-9,13,21H,10-12H2,1H3,(H2,20,22,23)
InChIKeyYYAJYQPIGQSLEG-UHFFFAOYSA-N
MW323.40 g/mol
LogP3.22
Rot. Bonds6

About 1-[2-(1H-indol-3-yl)ethyl]-3-[(4-methoxyphenyl)methyl]urea

1-[2-(1H-indol-3-yl)ethyl]-3-[(4-methoxyphenyl)methyl]urea (PubChem CID 907037) has the molecular formula C19H21N3O2 and a molecular weight of 323.40 g/mol. Its IUPAC name is 1-[2-(1H-indol-3-yl)ethyl]-3-[(4-methoxyphenyl)methyl]urea.

Molecular Properties

Compound Name1-[2-(1H-indol-3-yl)ethyl]-3-[(4-methoxyphenyl)methyl]urea
PubChem CID907037
Molecular FormulaC19H21N3O2
Molecular Weight323.40 g/mol
Exact Mass323.16
IUPAC Name1-[2-(1H-indol-3-yl)ethyl]-3-[(4-methoxyphenyl)methyl]urea
SMILESCOc1ccc(CNC(=O)NCCc2c[nH]c3ccccc23)cc1
InChIInChI=1S/C19H21N3O2/c1-24-16-8-6-14(7-9-16)12-22-19(23)20-11-10-15-13-21-18-5-3-2-4-17(15)18/h2-9,13,21H,10-12H2,1H3,(H2,20,22,23)
InChIKeyYYAJYQPIGQSLEG-UHFFFAOYSA-N
XLogP3.22
TPSA66.15 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 53.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze 1-[2-(1H-indol-3-yl)ethyl]-3-[(4-methoxyphenyl)methyl]urea with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1H-indol-3-yl)ethyl]-3-[(4-methoxyphenyl)methyl]urea?
The IUPAC name of 1-[2-(1H-indol-3-yl)ethyl]-3-[(4-methoxyphenyl)methyl]urea (CID 907037) is 1-[2-(1H-indol-3-yl)ethyl]-3-[(4-methoxyphenyl)methyl]urea.
What is the SMILES notation for 1-[2-(1H-indol-3-yl)ethyl]-3-[(4-methoxyphenyl)methyl]urea?
The canonical SMILES for 1-[2-(1H-indol-3-yl)ethyl]-3-[(4-methoxyphenyl)methyl]urea is COc1ccc(CNC(=O)NCCc2c[nH]c3ccccc23)cc1.
What is the InChIKey of 1-[2-(1H-indol-3-yl)ethyl]-3-[(4-methoxyphenyl)methyl]urea?
The InChIKey is YYAJYQPIGQSLEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2/c1-24-16-8-6-14(7-9-16)12-22-19(23)20-11-10-15-13-21-18-5-3-2-4-17(15)18/h2-9,13,21H,10-12H2,1H3,(H2,20,22,23).
What are the key properties of 1-[2-(1H-indol-3-yl)ethyl]-3-[(4-methoxyphenyl)methyl]urea?
1-[2-(1H-indol-3-yl)ethyl]-3-[(4-methoxyphenyl)methyl]urea has a molecular weight of 323.40 g/mol, XLogP of 3.22, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1H-indol-3-yl)ethyl]-3-[(4-methoxyphenyl)methyl]urea is sourced from PubChem (CID 907037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).