1-acetyl-N-[2-[[acetyl(ethyl)amino]methyl]phenyl]-2,3-dihydroindole-5-carboxamide

C22H25N3O3 — CID 34717716

IUPAC1-acetyl-N-[2-[[acetyl(ethyl)amino]methyl]phenyl]-2,3-dihydroindole-5-carboxamide
SMILESCCN(Cc1ccccc1NC(=O)c1ccc2c(c1)CCN2C(C)=O)C(C)=O
InChIInChI=1S/C22H25N3O3/c1-4-24(15(2)26)14-19-7-5-6-8-20(19)23-22(28)18-9-10-21-17(13-18)11-12-25(21)16(3)27/h5-10,13H,4,11-12,14H2,1-3H3,(H,23,28)
InChIKeyWMHVZGWQKHOTHN-UHFFFAOYSA-N
MW379.46 g/mol
LogP3.22
Rot. Bonds5

About 1-acetyl-N-[2-[[acetyl(ethyl)amino]methyl]phenyl]-2,3-dihydroindole-5-carboxamide

1-acetyl-N-[2-[[acetyl(ethyl)amino]methyl]phenyl]-2,3-dihydroindole-5-carboxamide (PubChem CID 34717716) has the molecular formula C22H25N3O3 and a molecular weight of 379.46 g/mol. Its IUPAC name is 1-acetyl-N-[2-[[acetyl(ethyl)amino]methyl]phenyl]-2,3-dihydroindole-5-carboxamide.

Molecular Properties

Compound Name1-acetyl-N-[2-[[acetyl(ethyl)amino]methyl]phenyl]-2,3-dihydroindole-5-carboxamide
PubChem CID34717716
Molecular FormulaC22H25N3O3
Molecular Weight379.46 g/mol
Exact Mass379.19
IUPAC Name1-acetyl-N-[2-[[acetyl(ethyl)amino]methyl]phenyl]-2,3-dihydroindole-5-carboxamide
SMILESCCN(Cc1ccccc1NC(=O)c1ccc2c(c1)CCN2C(C)=O)C(C)=O
InChIInChI=1S/C22H25N3O3/c1-4-24(15(2)26)14-19-7-5-6-8-20(19)23-22(28)18-9-10-21-17(13-18)11-12-25(21)16(3)27/h5-10,13H,4,11-12,14H2,1-3H3,(H,23,28)
InChIKeyWMHVZGWQKHOTHN-UHFFFAOYSA-N
XLogP3.22
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-acetyl-N-[2-(4-ethylpiperazin-1-yl)phenyl]-2,3-dihydroindole-5-carboxamide
CID 51265836
1-acetyl-N-(2-carbamoylphenyl)-2,3-dihydroindole-5-carboxamide
CID 51266821
1-acetyl-N-(2,3-dimethylphenyl)-2,3-dihydroindole-5-carboxamide
CID 29284026
1-acetyl-N-(2-morpholin-4-ylphenyl)-2,3-dihydroindole-5-carboxamide
CID 51265668
1-acetyl-N-[[2-[(dimethylamino)methyl]phenyl]methyl]-2,3-dihydroindole-5-carboxamide
CID 24550296
N-[2-[[acetyl(ethyl)amino]methyl]phenyl]-4-(2,5-dimethylpyrrol-1-yl)benzamide
CID 46434978
1-acetyl-N,N-dibenzyl-2,3-dihydroindole-5-carboxamide
CID 51271981
1-acetyl-N-ethoxy-2,3-dihydroindole-5-carboxamide
CID 43048030
1-acetyl-N-[[2-[4-[(dimethylamino)methyl]phenyl]phenyl]methyl]-2,3-dihydroindole-5-carboxamide
CID 38262055
1-acetyl-N-[(2S)-pentan-2-yl]-2,3-dihydroindole-5-carboxamide
CID 30886490
N-[2-[[acetyl(ethyl)amino]methyl]phenyl]-5-amino-2-methylbenzamide
CID 120623542
1-acetyl-N-(3,5-dimethoxyphenyl)-2,3-dihydroindole-5-carboxamide
CID 51265763

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-[2-[[acetyl(ethyl)amino]methyl]phenyl]-2,3-dihydroindole-5-carboxamide?
The IUPAC name of 1-acetyl-N-[2-[[acetyl(ethyl)amino]methyl]phenyl]-2,3-dihydroindole-5-carboxamide (CID 34717716) is 1-acetyl-N-[2-[[acetyl(ethyl)amino]methyl]phenyl]-2,3-dihydroindole-5-carboxamide.
What is the SMILES notation for 1-acetyl-N-[2-[[acetyl(ethyl)amino]methyl]phenyl]-2,3-dihydroindole-5-carboxamide?
The canonical SMILES for 1-acetyl-N-[2-[[acetyl(ethyl)amino]methyl]phenyl]-2,3-dihydroindole-5-carboxamide is CCN(Cc1ccccc1NC(=O)c1ccc2c(c1)CCN2C(C)=O)C(C)=O.
What is the InChIKey of 1-acetyl-N-[2-[[acetyl(ethyl)amino]methyl]phenyl]-2,3-dihydroindole-5-carboxamide?
The InChIKey is WMHVZGWQKHOTHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O3/c1-4-24(15(2)26)14-19-7-5-6-8-20(19)23-22(28)18-9-10-21-17(13-18)11-12-25(21)16(3)27/h5-10,13H,4,11-12,14H2,1-3H3,(H,23,28).
What are the key properties of 1-acetyl-N-[2-[[acetyl(ethyl)amino]methyl]phenyl]-2,3-dihydroindole-5-carboxamide?
1-acetyl-N-[2-[[acetyl(ethyl)amino]methyl]phenyl]-2,3-dihydroindole-5-carboxamide has a molecular weight of 379.46 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-[2-[[acetyl(ethyl)amino]methyl]phenyl]-2,3-dihydroindole-5-carboxamide is sourced from PubChem (CID 34717716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).