4-(2,3-dihydroindol-1-yl)-N-(2,4-dimethoxyphenyl)-4-oxobutanamide

C20H22N2O4 — CID 3901633

IUPAC4-(2,3-dihydroindol-1-yl)-N-(2,4-dimethoxyphenyl)-4-oxobutanamide
SMILESCOc1ccc(NC(=O)CCC(=O)N2CCc3ccccc32)c(OC)c1
InChIInChI=1S/C20H22N2O4/c1-25-15-7-8-16(18(13-15)26-2)21-19(23)9-10-20(24)22-12-11-14-5-3-4-6-17(14)22/h3-8,13H,9-12H2,1-2H3,(H,21,23)
InChIKeyTXQNTEANHQKLMN-UHFFFAOYSA-N
MW354.41 g/mol
LogP3.01
Rot. Bonds6

About 4-(2,3-dihydroindol-1-yl)-N-(2,4-dimethoxyphenyl)-4-oxobutanamide

4-(2,3-dihydroindol-1-yl)-N-(2,4-dimethoxyphenyl)-4-oxobutanamide (PubChem CID 3901633) has the molecular formula C20H22N2O4 and a molecular weight of 354.41 g/mol. Its IUPAC name is 4-(2,3-dihydroindol-1-yl)-N-(2,4-dimethoxyphenyl)-4-oxobutanamide.

Molecular Properties

Compound Name4-(2,3-dihydroindol-1-yl)-N-(2,4-dimethoxyphenyl)-4-oxobutanamide
PubChem CID3901633
Molecular FormulaC20H22N2O4
Molecular Weight354.41 g/mol
Exact Mass354.16
IUPAC Name4-(2,3-dihydroindol-1-yl)-N-(2,4-dimethoxyphenyl)-4-oxobutanamide
SMILESCOc1ccc(NC(=O)CCC(=O)N2CCc3ccccc32)c(OC)c1
InChIInChI=1S/C20H22N2O4/c1-25-15-7-8-16(18(13-15)26-2)21-19(23)9-10-20(24)22-12-11-14-5-3-4-6-17(14)22/h3-8,13H,9-12H2,1-2H3,(H,21,23)
InChIKeyTXQNTEANHQKLMN-UHFFFAOYSA-N
XLogP3.01
TPSA67.87 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 ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2R)-1-(2,3-dihydroindol-1-yl)-3-methyl-1-oxobutan-2-yl]-3-(2,4-dimethoxyphenyl)urea
CID 92881391
3-(3,4-dihydro-2H-quinolin-1-yl)-N-(2,4-dimethoxyphenyl)-2,2-dimethyl-3-oxopropanamide
CID 108967754
2-[4-(2,3-dihydroindol-1-yl)-4-oxobutyl]-1-(2,5-dimethoxyphenyl)guanidine;hydroiodide
CID 111810995
1,4-bis(2,3-dihydroindol-1-yl)butane-1,4-dione
CID 741114
1-(2,3-dihydroindol-1-yl)-3-(3-methoxyanilino)propan-1-one
CID 109034751
1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-3-(2-methoxyphenyl)urea
CID 46383478
1-(2,3-dihydroindol-1-yl)-2-(2-methoxyanilino)ethanone
CID 9080490
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(2,5-dimethoxyanilino)ethanone
CID 54813893
N-(2,4-dimethoxyphenyl)-3-[1-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]piperidin-4-yl]propanamide
CID 26395249
N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-2-(4-methoxyphenyl)acetamide
CID 110370754
3-(2,3-dihydroindol-1-yl)-N-[(4-methoxyphenyl)methyl]-3-oxopropanamide
CID 108947050
3-[3-(2,4-dimethoxyanilino)-3-oxopropyl]sulfanyl-N-(2,4-dimethoxyphenyl)propanamide
CID 2933269

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydroindol-1-yl)-N-(2,4-dimethoxyphenyl)-4-oxobutanamide?
The IUPAC name of 4-(2,3-dihydroindol-1-yl)-N-(2,4-dimethoxyphenyl)-4-oxobutanamide (CID 3901633) is 4-(2,3-dihydroindol-1-yl)-N-(2,4-dimethoxyphenyl)-4-oxobutanamide.
What is the SMILES notation for 4-(2,3-dihydroindol-1-yl)-N-(2,4-dimethoxyphenyl)-4-oxobutanamide?
The canonical SMILES for 4-(2,3-dihydroindol-1-yl)-N-(2,4-dimethoxyphenyl)-4-oxobutanamide is COc1ccc(NC(=O)CCC(=O)N2CCc3ccccc32)c(OC)c1.
What is the InChIKey of 4-(2,3-dihydroindol-1-yl)-N-(2,4-dimethoxyphenyl)-4-oxobutanamide?
The InChIKey is TXQNTEANHQKLMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O4/c1-25-15-7-8-16(18(13-15)26-2)21-19(23)9-10-20(24)22-12-11-14-5-3-4-6-17(14)22/h3-8,13H,9-12H2,1-2H3,(H,21,23).
What are the key properties of 4-(2,3-dihydroindol-1-yl)-N-(2,4-dimethoxyphenyl)-4-oxobutanamide?
4-(2,3-dihydroindol-1-yl)-N-(2,4-dimethoxyphenyl)-4-oxobutanamide has a molecular weight of 354.41 g/mol, XLogP of 3.01, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dihydroindol-1-yl)-N-(2,4-dimethoxyphenyl)-4-oxobutanamide is sourced from PubChem (CID 3901633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).