1-[2-(4-methoxyphenyl)ethyl]-3-(1-methylindol-3-yl)urea

C19H21N3O2 — CID 18582320

IUPAC1-[2-(4-methoxyphenyl)ethyl]-3-(1-methylindol-3-yl)urea
SMILESCOc1ccc(CCNC(=O)Nc2cn(C)c3ccccc23)cc1
InChIInChI=1S/C19H21N3O2/c1-22-13-17(16-5-3-4-6-18(16)22)21-19(23)20-12-11-14-7-9-15(24-2)10-8-14/h3-10,13H,11-12H2,1-2H3,(H2,20,21,23)
InChIKeyXPHHNXXIVWHJTL-UHFFFAOYSA-N
MW323.40 g/mol
LogP3.55
Rot. Bonds5

About 1-[2-(4-methoxyphenyl)ethyl]-3-(1-methylindol-3-yl)urea

1-[2-(4-methoxyphenyl)ethyl]-3-(1-methylindol-3-yl)urea (PubChem CID 18582320) has the molecular formula C19H21N3O2 and a molecular weight of 323.40 g/mol. Its IUPAC name is 1-[2-(4-methoxyphenyl)ethyl]-3-(1-methylindol-3-yl)urea.

Molecular Properties

Compound Name1-[2-(4-methoxyphenyl)ethyl]-3-(1-methylindol-3-yl)urea
PubChem CID18582320
Molecular FormulaC19H21N3O2
Molecular Weight323.40 g/mol
Exact Mass323.16
IUPAC Name1-[2-(4-methoxyphenyl)ethyl]-3-(1-methylindol-3-yl)urea
SMILESCOc1ccc(CCNC(=O)Nc2cn(C)c3ccccc23)cc1
InChIInChI=1S/C19H21N3O2/c1-22-13-17(16-5-3-4-6-18(16)22)21-19(23)20-12-11-14-7-9-15(24-2)10-8-14/h3-10,13H,11-12H2,1-2H3,(H2,20,21,23)
InChIKeyXPHHNXXIVWHJTL-UHFFFAOYSA-N
XLogP3.55
TPSA55.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[2-(4-methoxyphenyl)ethyl]-3-(1-methylindol-3-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-fluorophenyl)-3-[2-(4-methoxyphenyl)ethyl]urea
CID 3548825
1-(2-ethoxyphenyl)-3-[2-(4-methoxyphenyl)ethyl]urea
CID 971052
1-(1-ethylindol-3-yl)-3-[2-(4-fluorophenyl)ethyl]urea
CID 18582399
N-[(4-methoxyphenyl)methyl]-1-methylindole-3-carboxamide
CID 9208154
1-[2-(4-methoxyphenyl)ethyl]-3-(4-phenylphenyl)urea
CID 108867012
1-(2,4-dimethylphenyl)-3-[2-(4-methoxyphenyl)ethyl]urea
CID 108901898
N-[2-(3,4-dimethoxyphenyl)ethyl]-1-methylindole-3-carboxamide
CID 9270076
1-(2,6-dichlorophenyl)-3-[2-(4-methoxyphenyl)ethyl]urea
CID 108902007
N-[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]-3-(4-methoxyphenyl)propanamide
CID 90490734
1-[2-(4-methoxyphenyl)ethyl]-3-(4-methylphenyl)urea
CID 727799
1-(2,4-dimethoxyphenyl)-3-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]urea
CID 90535330
N-[2-(4-methoxyphenyl)ethyl]naphthalene-1-carboxamide
CID 2231008

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methoxyphenyl)ethyl]-3-(1-methylindol-3-yl)urea?
The IUPAC name of 1-[2-(4-methoxyphenyl)ethyl]-3-(1-methylindol-3-yl)urea (CID 18582320) is 1-[2-(4-methoxyphenyl)ethyl]-3-(1-methylindol-3-yl)urea.
What is the SMILES notation for 1-[2-(4-methoxyphenyl)ethyl]-3-(1-methylindol-3-yl)urea?
The canonical SMILES for 1-[2-(4-methoxyphenyl)ethyl]-3-(1-methylindol-3-yl)urea is COc1ccc(CCNC(=O)Nc2cn(C)c3ccccc23)cc1.
What is the InChIKey of 1-[2-(4-methoxyphenyl)ethyl]-3-(1-methylindol-3-yl)urea?
The InChIKey is XPHHNXXIVWHJTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2/c1-22-13-17(16-5-3-4-6-18(16)22)21-19(23)20-12-11-14-7-9-15(24-2)10-8-14/h3-10,13H,11-12H2,1-2H3,(H2,20,21,23).
What are the key properties of 1-[2-(4-methoxyphenyl)ethyl]-3-(1-methylindol-3-yl)urea?
1-[2-(4-methoxyphenyl)ethyl]-3-(1-methylindol-3-yl)urea has a molecular weight of 323.40 g/mol, XLogP of 3.55, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methoxyphenyl)ethyl]-3-(1-methylindol-3-yl)urea is sourced from PubChem (CID 18582320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).