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

C15H21N3O — CID 4667208

IUPAC1-[2-(2-methyl-1H-indol-3-yl)ethyl]-3-propylurea
SMILESCCCNC(=O)NCCc1c(C)[nH]c2ccccc12
InChIInChI=1S/C15H21N3O/c1-3-9-16-15(19)17-10-8-12-11(2)18-14-7-5-4-6-13(12)14/h4-7,18H,3,8-10H2,1-2H3,(H2,16,17,19)
InChIKeyCQMZYBFPWYQAGU-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.73
Rot. Bonds5

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

1-[2-(2-methyl-1H-indol-3-yl)ethyl]-3-propylurea (PubChem CID 4667208) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 1-[2-(2-methyl-1H-indol-3-yl)ethyl]-3-propylurea.

Molecular Properties

Compound Name1-[2-(2-methyl-1H-indol-3-yl)ethyl]-3-propylurea
PubChem CID4667208
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name1-[2-(2-methyl-1H-indol-3-yl)ethyl]-3-propylurea
SMILESCCCNC(=O)NCCc1c(C)[nH]c2ccccc12
InChIInChI=1S/C15H21N3O/c1-3-9-16-15(19)17-10-8-12-11(2)18-14-7-5-4-6-13(12)14/h4-7,18H,3,8-10H2,1-2H3,(H2,16,17,19)
InChIKeyCQMZYBFPWYQAGU-UHFFFAOYSA-N
XLogP2.73
TPSA56.92 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.73
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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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methyl-1H-indol-3-yl)ethyl]-3-propylurea?
The IUPAC name of 1-[2-(2-methyl-1H-indol-3-yl)ethyl]-3-propylurea (CID 4667208) is 1-[2-(2-methyl-1H-indol-3-yl)ethyl]-3-propylurea.
What is the SMILES notation for 1-[2-(2-methyl-1H-indol-3-yl)ethyl]-3-propylurea?
The canonical SMILES for 1-[2-(2-methyl-1H-indol-3-yl)ethyl]-3-propylurea is CCCNC(=O)NCCc1c(C)[nH]c2ccccc12.
What is the InChIKey of 1-[2-(2-methyl-1H-indol-3-yl)ethyl]-3-propylurea?
The InChIKey is CQMZYBFPWYQAGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-3-9-16-15(19)17-10-8-12-11(2)18-14-7-5-4-6-13(12)14/h4-7,18H,3,8-10H2,1-2H3,(H2,16,17,19).
What are the key properties of 1-[2-(2-methyl-1H-indol-3-yl)ethyl]-3-propylurea?
1-[2-(2-methyl-1H-indol-3-yl)ethyl]-3-propylurea has a molecular weight of 259.35 g/mol, XLogP of 2.73, 5 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-propylurea is sourced from PubChem (CID 4667208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).