N-benzyl-N-ethyl-5-methoxy-3-methyl-1H-indole-2-carboxamide

C20H22N2O2 — CID 4971091

IUPACN-benzyl-N-ethyl-5-methoxy-3-methyl-1H-indole-2-carboxamide
SMILESCCN(Cc1ccccc1)C(=O)c1[nH]c2ccc(OC)cc2c1C
InChIInChI=1S/C20H22N2O2/c1-4-22(13-15-8-6-5-7-9-15)20(23)19-14(2)17-12-16(24-3)10-11-18(17)21-19/h5-12,21H,4,13H2,1-3H3
InChIKeySPVHTCBQULAPEV-UHFFFAOYSA-N
MW322.41 g/mol
LogP4.15
Rot. Bonds5

About N-benzyl-N-ethyl-5-methoxy-3-methyl-1H-indole-2-carboxamide

N-benzyl-N-ethyl-5-methoxy-3-methyl-1H-indole-2-carboxamide (PubChem CID 4971091) has the molecular formula C20H22N2O2 and a molecular weight of 322.41 g/mol. Its IUPAC name is N-benzyl-N-ethyl-5-methoxy-3-methyl-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-ethyl-5-methoxy-3-methyl-1H-indole-2-carboxamide
PubChem CID4971091
Molecular FormulaC20H22N2O2
Molecular Weight322.41 g/mol
Exact Mass322.17
IUPAC NameN-benzyl-N-ethyl-5-methoxy-3-methyl-1H-indole-2-carboxamide
SMILESCCN(Cc1ccccc1)C(=O)c1[nH]c2ccc(OC)cc2c1C
InChIInChI=1S/C20H22N2O2/c1-4-22(13-15-8-6-5-7-9-15)20(23)19-14(2)17-12-16(24-3)10-11-18(17)21-19/h5-12,21H,4,13H2,1-3H3
InChIKeySPVHTCBQULAPEV-UHFFFAOYSA-N
XLogP4.15
TPSA45.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-benzyl-N-ethyl-5-methoxy-3-methyl-1H-indole-2-carboxamide 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

Fumitremorgin C
CID 403923
Oxametacin
CID 33675
2-Iodomelatonin
CID 115348
5-Methoxyindole-2-carboxylic acid
CID 20401
Go 6983
CID 3499
Tryprostatin A
CID 9929833
Hortiacine
CID 378227
LM-4108
CID 4292
Asp-9521
CID 25210792
5-Methoxy-N,N,2-trimethyl-1H-indole-3-ethanamine
CID 49756
N-Propionyl-5-methoxytryptamine
CID 395810
Iik7
CID 4172142

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-ethyl-5-methoxy-3-methyl-1H-indole-2-carboxamide?
The IUPAC name of N-benzyl-N-ethyl-5-methoxy-3-methyl-1H-indole-2-carboxamide (CID 4971091) is N-benzyl-N-ethyl-5-methoxy-3-methyl-1H-indole-2-carboxamide.
What is the SMILES notation for N-benzyl-N-ethyl-5-methoxy-3-methyl-1H-indole-2-carboxamide?
The canonical SMILES for N-benzyl-N-ethyl-5-methoxy-3-methyl-1H-indole-2-carboxamide is CCN(Cc1ccccc1)C(=O)c1[nH]c2ccc(OC)cc2c1C.
What is the InChIKey of N-benzyl-N-ethyl-5-methoxy-3-methyl-1H-indole-2-carboxamide?
The InChIKey is SPVHTCBQULAPEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O2/c1-4-22(13-15-8-6-5-7-9-15)20(23)19-14(2)17-12-16(24-3)10-11-18(17)21-19/h5-12,21H,4,13H2,1-3H3.
What are the key properties of N-benzyl-N-ethyl-5-methoxy-3-methyl-1H-indole-2-carboxamide?
N-benzyl-N-ethyl-5-methoxy-3-methyl-1H-indole-2-carboxamide has a molecular weight of 322.41 g/mol, XLogP of 4.15, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-ethyl-5-methoxy-3-methyl-1H-indole-2-carboxamide is sourced from PubChem (CID 4971091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).