1-(3,4-diethoxybenzoyl)-2,3-dihydroindole-2-carboxamide

C20H22N2O4 — CID 18587923

IUPAC1-(3,4-diethoxybenzoyl)-2,3-dihydroindole-2-carboxamide
SMILESCCOc1ccc(C(=O)N2c3ccccc3CC2C(N)=O)cc1OCC
InChIInChI=1S/C20H22N2O4/c1-3-25-17-10-9-14(12-18(17)26-4-2)20(24)22-15-8-6-5-7-13(15)11-16(22)19(21)23/h5-10,12,16H,3-4,11H2,1-2H3,(H2,21,23)
InChIKeyIXBDTQUMQMDVRQ-UHFFFAOYSA-N
MW354.41 g/mol
LogP2.54
Rot. Bonds6

About 1-(3,4-diethoxybenzoyl)-2,3-dihydroindole-2-carboxamide

1-(3,4-diethoxybenzoyl)-2,3-dihydroindole-2-carboxamide (PubChem CID 18587923) has the molecular formula C20H22N2O4 and a molecular weight of 354.41 g/mol. Its IUPAC name is 1-(3,4-diethoxybenzoyl)-2,3-dihydroindole-2-carboxamide.

Molecular Properties

Compound Name1-(3,4-diethoxybenzoyl)-2,3-dihydroindole-2-carboxamide
PubChem CID18587923
Molecular FormulaC20H22N2O4
Molecular Weight354.41 g/mol
Exact Mass354.16
IUPAC Name1-(3,4-diethoxybenzoyl)-2,3-dihydroindole-2-carboxamide
SMILESCCOc1ccc(C(=O)N2c3ccccc3CC2C(N)=O)cc1OCC
InChIInChI=1S/C20H22N2O4/c1-3-25-17-10-9-14(12-18(17)26-4-2)20(24)22-15-8-6-5-7-13(15)11-16(22)19(21)23/h5-10,12,16H,3-4,11H2,1-2H3,(H2,21,23)
InChIKeyIXBDTQUMQMDVRQ-UHFFFAOYSA-N
XLogP2.54
TPSA81.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-1-(2-ethoxybenzoyl)-2,3-dihydroindole-2-carboxamide
CID 41428728
(2R)-1-(3,4-dimethylbenzoyl)-2,3-dihydroindole-2-carboxamide
CID 40829167
(2S)-1-(3,4,5-trimethoxybenzoyl)-2,3-dihydroindole-2-carboxamide
CID 41428756
1-(3,4-dimethoxybenzoyl)-2,3-dihydroindole-2-carboxylic acid
CID 118856568
(2S)-1-(3-methylbenzoyl)-2,3-dihydroindole-2-carboxamide
CID 41428724
(2R)-1-(4-chlorobenzoyl)-2,3-dihydroindole-2-carboxamide
CID 41428763
(2S)-1-[4-[(R)-methylsulfinyl]benzoyl]-2,3-dihydroindole-2-carboxamide
CID 95146370
[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl] 3,4-diethoxybenzoate
CID 7381920
(2S)-1-[4-(diethylsulfamoyl)benzoyl]-2,3-dihydroindole-2-carboxamide
CID 41428851
[(2S)-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-1-oxopropan-2-yl] 3,4-diethoxybenzoate
CID 7381891
[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl] 4-ethoxy-3-methoxybenzoate
CID 7416270
[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl] 2-[(3,4-diethoxybenzoyl)amino]acetate
CID 2417277

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-diethoxybenzoyl)-2,3-dihydroindole-2-carboxamide?
The IUPAC name of 1-(3,4-diethoxybenzoyl)-2,3-dihydroindole-2-carboxamide (CID 18587923) is 1-(3,4-diethoxybenzoyl)-2,3-dihydroindole-2-carboxamide.
What is the SMILES notation for 1-(3,4-diethoxybenzoyl)-2,3-dihydroindole-2-carboxamide?
The canonical SMILES for 1-(3,4-diethoxybenzoyl)-2,3-dihydroindole-2-carboxamide is CCOc1ccc(C(=O)N2c3ccccc3CC2C(N)=O)cc1OCC.
What is the InChIKey of 1-(3,4-diethoxybenzoyl)-2,3-dihydroindole-2-carboxamide?
The InChIKey is IXBDTQUMQMDVRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O4/c1-3-25-17-10-9-14(12-18(17)26-4-2)20(24)22-15-8-6-5-7-13(15)11-16(22)19(21)23/h5-10,12,16H,3-4,11H2,1-2H3,(H2,21,23).
What are the key properties of 1-(3,4-diethoxybenzoyl)-2,3-dihydroindole-2-carboxamide?
1-(3,4-diethoxybenzoyl)-2,3-dihydroindole-2-carboxamide has a molecular weight of 354.41 g/mol, XLogP of 2.54, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-diethoxybenzoyl)-2,3-dihydroindole-2-carboxamide is sourced from PubChem (CID 18587923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).