1-acetyl-N-ethoxy-2,3-dihydroindole-5-carboxamide

C13H16N2O3 — CID 43048030

IUPAC1-acetyl-N-ethoxy-2,3-dihydroindole-5-carboxamide
SMILESCCONC(=O)c1ccc2c(c1)CCN2C(C)=O
InChIInChI=1S/C13H16N2O3/c1-3-18-14-13(17)11-4-5-12-10(8-11)6-7-15(12)9(2)16/h4-5,8H,3,6-7H2,1-2H3,(H,14,17)
InChIKeyUXEMYFFUGZGNJZ-UHFFFAOYSA-N
MW248.28 g/mol
LogP1.28
Rot. Bonds3

About 1-acetyl-N-ethoxy-2,3-dihydroindole-5-carboxamide

1-acetyl-N-ethoxy-2,3-dihydroindole-5-carboxamide (PubChem CID 43048030) has the molecular formula C13H16N2O3 and a molecular weight of 248.28 g/mol. Its IUPAC name is 1-acetyl-N-ethoxy-2,3-dihydroindole-5-carboxamide.

Molecular Properties

Compound Name1-acetyl-N-ethoxy-2,3-dihydroindole-5-carboxamide
PubChem CID43048030
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC Name1-acetyl-N-ethoxy-2,3-dihydroindole-5-carboxamide
SMILESCCONC(=O)c1ccc2c(c1)CCN2C(C)=O
InChIInChI=1S/C13H16N2O3/c1-3-18-14-13(17)11-4-5-12-10(8-11)6-7-15(12)9(2)16/h4-5,8H,3,6-7H2,1-2H3,(H,14,17)
InChIKeyUXEMYFFUGZGNJZ-UHFFFAOYSA-N
XLogP1.28
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1-acetyl-N-ethoxy-2,3-dihydroindole-5-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

1-acetyl-N-[(2S)-pentan-2-yl]-2,3-dihydroindole-5-carboxamide
CID 30886490
1-acetyl-N-(3-aminopropyl)-2,3-dihydroindole-5-carboxamide
CID 119259829
1-acetyl-N-hexyl-2,3-dihydroindole-5-carboxamide
CID 46538156
1-acetyl-N-[1-(aminomethyl)cyclopentyl]-2,3-dihydroindole-5-carboxamide
CID 119260765
1-acetyl-N-[1-(aminomethyl)cyclopentyl]-2,3-dihydroindole-5-carboxamide;hydrochloride
CID 119260764
methyl 4-(1-acetyl-2,3-dihydroindol-5-yl)-4-oxobutanoate
CID 82347038
1-acetyl-N-(3,5-dimethoxyphenyl)-2,3-dihydroindole-5-carboxamide
CID 51265763
1-acetyl-N-[3-(methylamino)propyl]-2,3-dihydroindole-5-carboxamide;hydrochloride
CID 119259944
1-acetyl-N-(1-amino-4-methylpentan-2-yl)-2,3-dihydroindole-5-carboxamide
CID 119260893
benzyl 2-[(1-acetyl-2,3-dihydroindole-5-carbonyl)amino]acetate
CID 30581650
1-acetyl-N-[3-(2-ethoxyethoxymethyl)phenyl]-2,3-dihydroindole-5-carboxamide
CID 55806959
1-acetyl-N-(3,4,5-trimethoxyphenyl)-2,3-dihydroindole-5-carboxamide
CID 34258783

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-ethoxy-2,3-dihydroindole-5-carboxamide?
The IUPAC name of 1-acetyl-N-ethoxy-2,3-dihydroindole-5-carboxamide (CID 43048030) is 1-acetyl-N-ethoxy-2,3-dihydroindole-5-carboxamide.
What is the SMILES notation for 1-acetyl-N-ethoxy-2,3-dihydroindole-5-carboxamide?
The canonical SMILES for 1-acetyl-N-ethoxy-2,3-dihydroindole-5-carboxamide is CCONC(=O)c1ccc2c(c1)CCN2C(C)=O.
What is the InChIKey of 1-acetyl-N-ethoxy-2,3-dihydroindole-5-carboxamide?
The InChIKey is UXEMYFFUGZGNJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3/c1-3-18-14-13(17)11-4-5-12-10(8-11)6-7-15(12)9(2)16/h4-5,8H,3,6-7H2,1-2H3,(H,14,17).
What are the key properties of 1-acetyl-N-ethoxy-2,3-dihydroindole-5-carboxamide?
1-acetyl-N-ethoxy-2,3-dihydroindole-5-carboxamide has a molecular weight of 248.28 g/mol, XLogP of 1.28, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-ethoxy-2,3-dihydroindole-5-carboxamide is sourced from PubChem (CID 43048030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).