N-[2-(2-phenyl-1H-indol-3-yl)ethyl]acetamide

C18H18N2O — CID 4715058

IUPACN-[2-(2-phenyl-1H-indol-3-yl)ethyl]acetamide
SMILESCC(=O)NCCc1c(-c2ccccc2)[nH]c2ccccc12
InChIInChI=1S/C18H18N2O/c1-13(21)19-12-11-16-15-9-5-6-10-17(15)20-18(16)14-7-3-2-4-8-14/h2-10,20H,11-12H2,1H3,(H,19,21)
InChIKeyNDQLWCNLJLSDBN-UHFFFAOYSA-N
MW278.36 g/mol
LogP3.51
Rot. Bonds4

About N-[2-(2-phenyl-1H-indol-3-yl)ethyl]acetamide

N-[2-(2-phenyl-1H-indol-3-yl)ethyl]acetamide (PubChem CID 4715058) has the molecular formula C18H18N2O and a molecular weight of 278.36 g/mol. Its IUPAC name is N-[2-(2-phenyl-1H-indol-3-yl)ethyl]acetamide.

Molecular Properties

Compound NameN-[2-(2-phenyl-1H-indol-3-yl)ethyl]acetamide
PubChem CID4715058
Molecular FormulaC18H18N2O
Molecular Weight278.36 g/mol
Exact Mass278.14
IUPAC NameN-[2-(2-phenyl-1H-indol-3-yl)ethyl]acetamide
SMILESCC(=O)NCCc1c(-c2ccccc2)[nH]c2ccccc12
InChIInChI=1S/C18H18N2O/c1-13(21)19-12-11-16-15-9-5-6-10-17(15)20-18(16)14-7-3-2-4-8-14/h2-10,20H,11-12H2,1H3,(H,19,21)
InChIKeyNDQLWCNLJLSDBN-UHFFFAOYSA-N
XLogP3.51
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze N-[2-(2-phenyl-1H-indol-3-yl)ethyl]acetamide 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 N-[2-(2-phenyl-1H-indol-3-yl)ethyl]acetamide?
The IUPAC name of N-[2-(2-phenyl-1H-indol-3-yl)ethyl]acetamide (CID 4715058) is N-[2-(2-phenyl-1H-indol-3-yl)ethyl]acetamide.
What is the SMILES notation for N-[2-(2-phenyl-1H-indol-3-yl)ethyl]acetamide?
The canonical SMILES for N-[2-(2-phenyl-1H-indol-3-yl)ethyl]acetamide is CC(=O)NCCc1c(-c2ccccc2)[nH]c2ccccc12.
What is the InChIKey of N-[2-(2-phenyl-1H-indol-3-yl)ethyl]acetamide?
The InChIKey is NDQLWCNLJLSDBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O/c1-13(21)19-12-11-16-15-9-5-6-10-17(15)20-18(16)14-7-3-2-4-8-14/h2-10,20H,11-12H2,1H3,(H,19,21).
What are the key properties of N-[2-(2-phenyl-1H-indol-3-yl)ethyl]acetamide?
N-[2-(2-phenyl-1H-indol-3-yl)ethyl]acetamide has a molecular weight of 278.36 g/mol, XLogP of 3.51, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-phenyl-1H-indol-3-yl)ethyl]acetamide is sourced from PubChem (CID 4715058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).