1-acetyl-N-benzyl-5-methoxy-N-propan-2-ylindole-3-carboxamide

C22H24N2O3 — CID 113212758

IUPAC1-acetyl-N-benzyl-5-methoxy-N-propan-2-ylindole-3-carboxamide
SMILESCOc1ccc2c(c1)c(C(=O)N(Cc1ccccc1)C(C)C)cn2C(C)=O
InChIInChI=1S/C22H24N2O3/c1-15(2)23(13-17-8-6-5-7-9-17)22(26)20-14-24(16(3)25)21-11-10-18(27-4)12-19(20)21/h5-12,14-15H,13H2,1-4H3
InChIKeyLNGVLFMIAYZXPC-UHFFFAOYSA-N
MW364.45 g/mol
LogP4.36
Rot. Bonds5

About 1-acetyl-N-benzyl-5-methoxy-N-propan-2-ylindole-3-carboxamide

1-acetyl-N-benzyl-5-methoxy-N-propan-2-ylindole-3-carboxamide (PubChem CID 113212758) has the molecular formula C22H24N2O3 and a molecular weight of 364.45 g/mol. Its IUPAC name is 1-acetyl-N-benzyl-5-methoxy-N-propan-2-ylindole-3-carboxamide.

Molecular Properties

Compound Name1-acetyl-N-benzyl-5-methoxy-N-propan-2-ylindole-3-carboxamide
PubChem CID113212758
Molecular FormulaC22H24N2O3
Molecular Weight364.45 g/mol
Exact Mass364.18
IUPAC Name1-acetyl-N-benzyl-5-methoxy-N-propan-2-ylindole-3-carboxamide
SMILESCOc1ccc2c(c1)c(C(=O)N(Cc1ccccc1)C(C)C)cn2C(C)=O
InChIInChI=1S/C22H24N2O3/c1-15(2)23(13-17-8-6-5-7-9-17)22(26)20-14-24(16(3)25)21-11-10-18(27-4)12-19(20)21/h5-12,14-15H,13H2,1-4H3
InChIKeyLNGVLFMIAYZXPC-UHFFFAOYSA-N
XLogP4.36
TPSA51.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-acetyl-N-benzyl-5-methoxy-N-propan-2-ylindole-3-carboxamide 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-acetyl-N-benzyl-5-methoxy-N-propan-2-ylindole-3-carboxamide?
The IUPAC name of 1-acetyl-N-benzyl-5-methoxy-N-propan-2-ylindole-3-carboxamide (CID 113212758) is 1-acetyl-N-benzyl-5-methoxy-N-propan-2-ylindole-3-carboxamide.
What is the SMILES notation for 1-acetyl-N-benzyl-5-methoxy-N-propan-2-ylindole-3-carboxamide?
The canonical SMILES for 1-acetyl-N-benzyl-5-methoxy-N-propan-2-ylindole-3-carboxamide is COc1ccc2c(c1)c(C(=O)N(Cc1ccccc1)C(C)C)cn2C(C)=O.
What is the InChIKey of 1-acetyl-N-benzyl-5-methoxy-N-propan-2-ylindole-3-carboxamide?
The InChIKey is LNGVLFMIAYZXPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O3/c1-15(2)23(13-17-8-6-5-7-9-17)22(26)20-14-24(16(3)25)21-11-10-18(27-4)12-19(20)21/h5-12,14-15H,13H2,1-4H3.
What are the key properties of 1-acetyl-N-benzyl-5-methoxy-N-propan-2-ylindole-3-carboxamide?
1-acetyl-N-benzyl-5-methoxy-N-propan-2-ylindole-3-carboxamide has a molecular weight of 364.45 g/mol, XLogP of 4.36, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-benzyl-5-methoxy-N-propan-2-ylindole-3-carboxamide is sourced from PubChem (CID 113212758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).