3,6,6-trimethyl-4-oxo-N-[3-(1-phenylethoxy)propyl]-5,7-dihydro-1H-indole-2-carboxamide

C23H30N2O3 — CID 24678094

IUPAC3,6,6-trimethyl-4-oxo-N-[3-(1-phenylethoxy)propyl]-5,7-dihydro-1H-indole-2-carboxamide
SMILESCc1c(C(=O)NCCCOC(C)c2ccccc2)[nH]c2c1C(=O)CC(C)(C)C2
InChIInChI=1S/C23H30N2O3/c1-15-20-18(13-23(3,4)14-19(20)26)25-21(15)22(27)24-11-8-12-28-16(2)17-9-6-5-7-10-17/h5-7,9-10,16,25H,8,11-14H2,1-4H3,(H,24,27)
InChIKeyGGOBRXDDJXUXQN-UHFFFAOYSA-N
MW382.50 g/mol
LogP4.38
Rot. Bonds7

About 3,6,6-trimethyl-4-oxo-N-[3-(1-phenylethoxy)propyl]-5,7-dihydro-1H-indole-2-carboxamide

3,6,6-trimethyl-4-oxo-N-[3-(1-phenylethoxy)propyl]-5,7-dihydro-1H-indole-2-carboxamide (PubChem CID 24678094) has the molecular formula C23H30N2O3 and a molecular weight of 382.50 g/mol. Its IUPAC name is 3,6,6-trimethyl-4-oxo-N-[3-(1-phenylethoxy)propyl]-5,7-dihydro-1H-indole-2-carboxamide.

Molecular Properties

Compound Name3,6,6-trimethyl-4-oxo-N-[3-(1-phenylethoxy)propyl]-5,7-dihydro-1H-indole-2-carboxamide
PubChem CID24678094
Molecular FormulaC23H30N2O3
Molecular Weight382.50 g/mol
Exact Mass382.23
IUPAC Name3,6,6-trimethyl-4-oxo-N-[3-(1-phenylethoxy)propyl]-5,7-dihydro-1H-indole-2-carboxamide
SMILESCc1c(C(=O)NCCCOC(C)c2ccccc2)[nH]c2c1C(=O)CC(C)(C)C2
InChIInChI=1S/C23H30N2O3/c1-15-20-18(13-23(3,4)14-19(20)26)25-21(15)22(27)24-11-8-12-28-16(2)17-9-6-5-7-10-17/h5-7,9-10,16,25H,8,11-14H2,1-4H3,(H,24,27)
InChIKeyGGOBRXDDJXUXQN-UHFFFAOYSA-N
XLogP4.38
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.50
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3,6,6-trimethyl-4-oxo-N-[3-(1-phenylethoxy)propyl]-5,7-dihydro-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

3,6,6-trimethyl-4-oxo-N-[(2S)-1-oxo-1-[[(1S)-1-phenylethyl]amino]hexan-2-yl]-5,7-dihydro-1H-indole-2-carboxamide
CID 156745829
N-[[4-(difluoromethoxy)phenyl]methyl]-3,6,6-trimethyl-4-oxo-5,7-dihydro-1H-indole-2-carboxamide
CID 43018488
N-[(2S)-4-cyclopropyl-1-oxo-1-[[(1S)-1-phenylethyl]amino]butan-2-yl]-3,6,6-trimethyl-4-oxo-5,7-dihydro-1H-indole-2-carboxamide
CID 156745820
3,6,6-trimethyl-4-oxo-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-5,7-dihydro-1H-indole-2-carboxamide
CID 9120452
N-[1-[[cyclopropyl(phenyl)methyl]amino]-1-oxohexan-2-yl]-3,6,6-trimethyl-4-oxo-5,7-dihydro-1H-indole-2-carboxamide
CID 170264245
N-(6,6-dimethoxy-2,2-dimethylhexyl)-3,6,6-trimethyl-4-oxo-5,7-dihydro-1H-indole-2-carboxamide
CID 86818971
2-oxo-N-[3-(1-phenylethoxy)propyl]-1H-pyridine-3-carboxamide
CID 42883825
2-iodo-N-[3-(1-phenylethoxy)propyl]benzamide
CID 55483787
2-amino-2-(4-methylphenyl)-N-[3-(1-phenylethoxy)propyl]acetamide
CID 120666814
4-methoxy-N-[3-(1-phenylethoxy)propyl]benzamide
CID 42942710
3,6,6-trimethyl-4-oxo-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]-5,7-dihydro-1H-indole-2-carboxamide
CID 31116655
1-hydroxy-N-[3-(1-phenylethoxy)propyl]cyclopentane-1-carboxamide
CID 110907153

Frequently Asked Questions

What is the IUPAC name of 3,6,6-trimethyl-4-oxo-N-[3-(1-phenylethoxy)propyl]-5,7-dihydro-1H-indole-2-carboxamide?
The IUPAC name of 3,6,6-trimethyl-4-oxo-N-[3-(1-phenylethoxy)propyl]-5,7-dihydro-1H-indole-2-carboxamide (CID 24678094) is 3,6,6-trimethyl-4-oxo-N-[3-(1-phenylethoxy)propyl]-5,7-dihydro-1H-indole-2-carboxamide.
What is the SMILES notation for 3,6,6-trimethyl-4-oxo-N-[3-(1-phenylethoxy)propyl]-5,7-dihydro-1H-indole-2-carboxamide?
The canonical SMILES for 3,6,6-trimethyl-4-oxo-N-[3-(1-phenylethoxy)propyl]-5,7-dihydro-1H-indole-2-carboxamide is Cc1c(C(=O)NCCCOC(C)c2ccccc2)[nH]c2c1C(=O)CC(C)(C)C2.
What is the InChIKey of 3,6,6-trimethyl-4-oxo-N-[3-(1-phenylethoxy)propyl]-5,7-dihydro-1H-indole-2-carboxamide?
The InChIKey is GGOBRXDDJXUXQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O3/c1-15-20-18(13-23(3,4)14-19(20)26)25-21(15)22(27)24-11-8-12-28-16(2)17-9-6-5-7-10-17/h5-7,9-10,16,25H,8,11-14H2,1-4H3,(H,24,27).
What are the key properties of 3,6,6-trimethyl-4-oxo-N-[3-(1-phenylethoxy)propyl]-5,7-dihydro-1H-indole-2-carboxamide?
3,6,6-trimethyl-4-oxo-N-[3-(1-phenylethoxy)propyl]-5,7-dihydro-1H-indole-2-carboxamide has a molecular weight of 382.50 g/mol, XLogP of 4.38, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6,6-trimethyl-4-oxo-N-[3-(1-phenylethoxy)propyl]-5,7-dihydro-1H-indole-2-carboxamide is sourced from PubChem (CID 24678094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).