1-[2-(2-methyl-1H-indol-3-yl)ethyl]-3-phenylurea

C18H19N3O — CID 110775881

IUPAC1-[2-(2-methyl-1H-indol-3-yl)ethyl]-3-phenylurea
SMILESCc1[nH]c2ccccc2c1CCNC(=O)Nc1ccccc1
InChIInChI=1S/C18H19N3O/c1-13-15(16-9-5-6-10-17(16)20-13)11-12-19-18(22)21-14-7-3-2-4-8-14/h2-10,20H,11-12H2,1H3,(H2,19,21,22)
InChIKeyRZDLUECKCYYQJB-UHFFFAOYSA-N
MW293.37 g/mol
LogP3.84
Rot. Bonds4

About 1-[2-(2-methyl-1H-indol-3-yl)ethyl]-3-phenylurea

1-[2-(2-methyl-1H-indol-3-yl)ethyl]-3-phenylurea (PubChem CID 110775881) has the molecular formula C18H19N3O and a molecular weight of 293.37 g/mol. Its IUPAC name is 1-[2-(2-methyl-1H-indol-3-yl)ethyl]-3-phenylurea.

Molecular Properties

Compound Name1-[2-(2-methyl-1H-indol-3-yl)ethyl]-3-phenylurea
PubChem CID110775881
Molecular FormulaC18H19N3O
Molecular Weight293.37 g/mol
Exact Mass293.15
IUPAC Name1-[2-(2-methyl-1H-indol-3-yl)ethyl]-3-phenylurea
SMILESCc1[nH]c2ccccc2c1CCNC(=O)Nc1ccccc1
InChIInChI=1S/C18H19N3O/c1-13-15(16-9-5-6-10-17(16)20-13)11-12-19-18(22)21-14-7-3-2-4-8-14/h2-10,20H,11-12H2,1H3,(H2,19,21,22)
InChIKeyRZDLUECKCYYQJB-UHFFFAOYSA-N
XLogP3.84
TPSA56.92 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 53.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

2-(2-methyl-1H-indol-3-yl)ethylcarbamic acid
CID 115171128
N-[2-(2-methyl-1H-indol-3-yl)ethyl]propanamide
CID 110789052
2-methyl-N-[2-(2-methyl-1H-indol-3-yl)ethyl]propanamide
CID 110789053
N-[2-(2-methyl-1H-indol-3-yl)ethyl]-3-oxobutanamide
CID 71492148
1-[2-(5-fluoro-2-methyl-1H-indol-3-yl)ethyl]-3-phenylthiourea
CID 43952983
2-cyano-N-[2-(2-methyl-1H-indol-3-yl)ethyl]acetamide
CID 115173271
2-chloro-N-[2-(2-methyl-1H-indol-3-yl)ethyl]benzamide
CID 54776329
2-(ethylamino)-N-[2-(2-methyl-1H-indol-3-yl)ethyl]acetamide
CID 115158041
4-(hydroxymethyl)-N-[2-(2-methyl-1H-indol-3-yl)ethyl]benzamide
CID 54776348
2-(2-methyl-1H-indol-3-yl)-N-(2-phenylethyl)acetamide
CID 31852687
[[8-[2-(2-methyl-1H-indol-3-yl)ethylamino]-8-oxooctanoyl]amino]oxidanium
CID 148932122
6-[2-(2-methyl-1H-indol-3-yl)ethylcarbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 3273445

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methyl-1H-indol-3-yl)ethyl]-3-phenylurea?
The IUPAC name of 1-[2-(2-methyl-1H-indol-3-yl)ethyl]-3-phenylurea (CID 110775881) is 1-[2-(2-methyl-1H-indol-3-yl)ethyl]-3-phenylurea.
What is the SMILES notation for 1-[2-(2-methyl-1H-indol-3-yl)ethyl]-3-phenylurea?
The canonical SMILES for 1-[2-(2-methyl-1H-indol-3-yl)ethyl]-3-phenylurea is Cc1[nH]c2ccccc2c1CCNC(=O)Nc1ccccc1.
What is the InChIKey of 1-[2-(2-methyl-1H-indol-3-yl)ethyl]-3-phenylurea?
The InChIKey is RZDLUECKCYYQJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O/c1-13-15(16-9-5-6-10-17(16)20-13)11-12-19-18(22)21-14-7-3-2-4-8-14/h2-10,20H,11-12H2,1H3,(H2,19,21,22).
What are the key properties of 1-[2-(2-methyl-1H-indol-3-yl)ethyl]-3-phenylurea?
1-[2-(2-methyl-1H-indol-3-yl)ethyl]-3-phenylurea has a molecular weight of 293.37 g/mol, XLogP of 3.84, 4 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methyl-1H-indol-3-yl)ethyl]-3-phenylurea is sourced from PubChem (CID 110775881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).