tert-butyl 1-[3-(propanoylamino)benzoyl]-2,3-dihydroindole-2-carboxylate

C23H26N2O4 — CID 71856226

IUPACtert-butyl 1-[3-(propanoylamino)benzoyl]-2,3-dihydroindole-2-carboxylate
SMILESCCC(=O)Nc1cccc(C(=O)N2c3ccccc3CC2C(=O)OC(C)(C)C)c1
InChIInChI=1S/C23H26N2O4/c1-5-20(26)24-17-11-8-10-16(13-17)21(27)25-18-12-7-6-9-15(18)14-19(25)22(28)29-23(2,3)4/h6-13,19H,5,14H2,1-4H3,(H,24,26)
InChIKeyCPGSFEGBSKPFBP-UHFFFAOYSA-N
MW394.47 g/mol
LogP3.95
Rot. Bonds4

About tert-butyl 1-[3-(propanoylamino)benzoyl]-2,3-dihydroindole-2-carboxylate

tert-butyl 1-[3-(propanoylamino)benzoyl]-2,3-dihydroindole-2-carboxylate (PubChem CID 71856226) has the molecular formula C23H26N2O4 and a molecular weight of 394.47 g/mol. Its IUPAC name is tert-butyl 1-[3-(propanoylamino)benzoyl]-2,3-dihydroindole-2-carboxylate.

Molecular Properties

Compound Nametert-butyl 1-[3-(propanoylamino)benzoyl]-2,3-dihydroindole-2-carboxylate
PubChem CID71856226
Molecular FormulaC23H26N2O4
Molecular Weight394.47 g/mol
Exact Mass394.19
IUPAC Nametert-butyl 1-[3-(propanoylamino)benzoyl]-2,3-dihydroindole-2-carboxylate
SMILESCCC(=O)Nc1cccc(C(=O)N2c3ccccc3CC2C(=O)OC(C)(C)C)c1
InChIInChI=1S/C23H26N2O4/c1-5-20(26)24-17-11-8-10-16(13-17)21(27)25-18-12-7-6-9-15(18)14-19(25)22(28)29-23(2,3)4/h6-13,19H,5,14H2,1-4H3,(H,24,26)
InChIKeyCPGSFEGBSKPFBP-UHFFFAOYSA-N
XLogP3.95
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.47
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze tert-butyl 1-[3-(propanoylamino)benzoyl]-2,3-dihydroindole-2-carboxylate 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-[3-(3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]propanamide
CID 17309643
1-O-tert-butyl 2-O-methyl (2S)-2,3-dihydroindole-1,2-dicarboxylate
CID 7169783
N-(3-acetylphenyl)-3-(2-methyl-2,3-dihydroindole-1-carbonyl)benzamide
CID 109057702
tert-butyl 2-[(3,4-dichlorophenyl)carbamoyl]-2,3-dihydroindole-1-carboxylate
CID 46214621
methyl (2R)-1-(4-methoxycarbonylbenzoyl)-2,3-dihydroindole-2-carboxylate
CID 95593895
N-[3-[(3R)-3-hydroxypyrrolidine-1-carbonyl]phenyl]propanamide
CID 111561910
(2S)-1-benzoyl-N-(3,4-dimethylphenyl)-2,3-dihydroindole-2-carboxamide
CID 92710318
N-[3-(piperazine-1-carbonyl)phenyl]propanamide;hydrochloride
CID 119402184
(2S)-1-(3-methylbenzoyl)-2,3-dihydroindole-2-carboxamide
CID 41428724
N-(3-acetylphenyl)propanamide
CID 903063
N-[3-[4-(ethylaminomethyl)piperidine-1-carbonyl]phenyl]propanamide
CID 119646571
(2S)-1-[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl]-2,3-dihydroindole-2-carboxamide
CID 52800953

Frequently Asked Questions

What is the IUPAC name of tert-butyl 1-[3-(propanoylamino)benzoyl]-2,3-dihydroindole-2-carboxylate?
The IUPAC name of tert-butyl 1-[3-(propanoylamino)benzoyl]-2,3-dihydroindole-2-carboxylate (CID 71856226) is tert-butyl 1-[3-(propanoylamino)benzoyl]-2,3-dihydroindole-2-carboxylate.
What is the SMILES notation for tert-butyl 1-[3-(propanoylamino)benzoyl]-2,3-dihydroindole-2-carboxylate?
The canonical SMILES for tert-butyl 1-[3-(propanoylamino)benzoyl]-2,3-dihydroindole-2-carboxylate is CCC(=O)Nc1cccc(C(=O)N2c3ccccc3CC2C(=O)OC(C)(C)C)c1.
What is the InChIKey of tert-butyl 1-[3-(propanoylamino)benzoyl]-2,3-dihydroindole-2-carboxylate?
The InChIKey is CPGSFEGBSKPFBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O4/c1-5-20(26)24-17-11-8-10-16(13-17)21(27)25-18-12-7-6-9-15(18)14-19(25)22(28)29-23(2,3)4/h6-13,19H,5,14H2,1-4H3,(H,24,26).
What are the key properties of tert-butyl 1-[3-(propanoylamino)benzoyl]-2,3-dihydroindole-2-carboxylate?
tert-butyl 1-[3-(propanoylamino)benzoyl]-2,3-dihydroindole-2-carboxylate has a molecular weight of 394.47 g/mol, XLogP of 3.95, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 1-[3-(propanoylamino)benzoyl]-2,3-dihydroindole-2-carboxylate is sourced from PubChem (CID 71856226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).