N-heptan-2-yl-2-oxo-1,3-dihydroindole-6-carboxamide

C16H22N2O2 — CID 102711809

IUPACN-heptan-2-yl-2-oxo-1,3-dihydroindole-6-carboxamide
SMILESCCCCCC(C)NC(=O)c1ccc2c(c1)NC(=O)C2
InChIInChI=1S/C16H22N2O2/c1-3-4-5-6-11(2)17-16(20)13-8-7-12-10-15(19)18-14(12)9-13/h7-9,11H,3-6,10H2,1-2H3,(H,17,20)(H,18,19)
InChIKeyGPOAUTSJYUPAGP-UHFFFAOYSA-N
MW274.36 g/mol
LogP2.88
Rot. Bonds6

About N-heptan-2-yl-2-oxo-1,3-dihydroindole-6-carboxamide

N-heptan-2-yl-2-oxo-1,3-dihydroindole-6-carboxamide (PubChem CID 102711809) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is N-heptan-2-yl-2-oxo-1,3-dihydroindole-6-carboxamide.

Molecular Properties

Compound NameN-heptan-2-yl-2-oxo-1,3-dihydroindole-6-carboxamide
PubChem CID102711809
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC NameN-heptan-2-yl-2-oxo-1,3-dihydroindole-6-carboxamide
SMILESCCCCCC(C)NC(=O)c1ccc2c(c1)NC(=O)C2
InChIInChI=1S/C16H22N2O2/c1-3-4-5-6-11(2)17-16(20)13-8-7-12-10-15(19)18-14(12)9-13/h7-9,11H,3-6,10H2,1-2H3,(H,17,20)(H,18,19)
InChIKeyGPOAUTSJYUPAGP-UHFFFAOYSA-N
XLogP2.88
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-heptan-2-yl-2-oxo-1,3-dihydroindole-6-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

N-butyl-2-oxo-1,3-dihydroindole-6-carboxamide
CID 102711852
(2S)-3-methyl-2-[(2-oxo-1,3-dihydroindole-6-carbonyl)amino]pentanoic acid
CID 102710671
(2R)-4-methyl-2-[(2-oxo-1,3-dihydroindole-6-carbonyl)amino]pentanoic acid
CID 102710687
3-hydroxy-2-[(2-oxo-1,3-dihydroindole-6-carbonyl)amino]butanoic acid
CID 102710593
2-oxo-N-(1-pyridin-4-ylethyl)-1,3-dihydroindole-6-carboxamide
CID 102711761
2-oxo-N-(1-thiophen-2-ylethyl)-1,3-dihydroindole-6-carboxamide
CID 102711764
N-(4-methylhexan-2-yl)-2-oxo-1,3-dihydroindole-5-carboxamide
CID 103708354
3-methyl-4-[(2-oxo-1,3-dihydroindole-6-carbonyl)amino]butanoic acid
CID 102710806
N-methyl-2-oxo-N-pentan-2-yl-1,3-dihydroindole-6-carboxamide
CID 102711803
2-oxo-N-(3-propan-2-yloxypropyl)-1,3-dihydroindole-6-carboxamide
CID 102712158
N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-2-oxo-1,3-dihydroindole-6-carboxamide
CID 102737542
2-oxo-N-pent-4-en-2-yl-1,3-dihydroindole-5-carboxamide
CID 113237405

Frequently Asked Questions

What is the IUPAC name of N-heptan-2-yl-2-oxo-1,3-dihydroindole-6-carboxamide?
The IUPAC name of N-heptan-2-yl-2-oxo-1,3-dihydroindole-6-carboxamide (CID 102711809) is N-heptan-2-yl-2-oxo-1,3-dihydroindole-6-carboxamide.
What is the SMILES notation for N-heptan-2-yl-2-oxo-1,3-dihydroindole-6-carboxamide?
The canonical SMILES for N-heptan-2-yl-2-oxo-1,3-dihydroindole-6-carboxamide is CCCCCC(C)NC(=O)c1ccc2c(c1)NC(=O)C2.
What is the InChIKey of N-heptan-2-yl-2-oxo-1,3-dihydroindole-6-carboxamide?
The InChIKey is GPOAUTSJYUPAGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-3-4-5-6-11(2)17-16(20)13-8-7-12-10-15(19)18-14(12)9-13/h7-9,11H,3-6,10H2,1-2H3,(H,17,20)(H,18,19).
What are the key properties of N-heptan-2-yl-2-oxo-1,3-dihydroindole-6-carboxamide?
N-heptan-2-yl-2-oxo-1,3-dihydroindole-6-carboxamide has a molecular weight of 274.36 g/mol, XLogP of 2.88, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-heptan-2-yl-2-oxo-1,3-dihydroindole-6-carboxamide is sourced from PubChem (CID 102711809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).