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

C21H25N3O2 — CID 24550296

IUPAC1-acetyl-N-[[2-[(dimethylamino)methyl]phenyl]methyl]-2,3-dihydroindole-5-carboxamide
SMILESCC(=O)N1CCc2cc(C(=O)NCc3ccccc3CN(C)C)ccc21
InChIInChI=1S/C21H25N3O2/c1-15(25)24-11-10-16-12-17(8-9-20(16)24)21(26)22-13-18-6-4-5-7-19(18)14-23(2)3/h4-9,12H,10-11,13-14H2,1-3H3,(H,22,26)
InChIKeyIBVYLTRGYFENGD-UHFFFAOYSA-N
MW351.45 g/mol
LogP2.59
Rot. Bonds5

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

1-acetyl-N-[[2-[(dimethylamino)methyl]phenyl]methyl]-2,3-dihydroindole-5-carboxamide (PubChem CID 24550296) has the molecular formula C21H25N3O2 and a molecular weight of 351.45 g/mol. Its IUPAC name is 1-acetyl-N-[[2-[(dimethylamino)methyl]phenyl]methyl]-2,3-dihydroindole-5-carboxamide.

Molecular Properties

Compound Name1-acetyl-N-[[2-[(dimethylamino)methyl]phenyl]methyl]-2,3-dihydroindole-5-carboxamide
PubChem CID24550296
Molecular FormulaC21H25N3O2
Molecular Weight351.45 g/mol
Exact Mass351.19
IUPAC Name1-acetyl-N-[[2-[(dimethylamino)methyl]phenyl]methyl]-2,3-dihydroindole-5-carboxamide
SMILESCC(=O)N1CCc2cc(C(=O)NCc3ccccc3CN(C)C)ccc21
InChIInChI=1S/C21H25N3O2/c1-15(25)24-11-10-16-12-17(8-9-20(16)24)21(26)22-13-18-6-4-5-7-19(18)14-23(2)3/h4-9,12H,10-11,13-14H2,1-3H3,(H,22,26)
InChIKeyIBVYLTRGYFENGD-UHFFFAOYSA-N
XLogP2.59
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-acetyl-N-[[2-[4-[(dimethylamino)methyl]phenyl]phenyl]methyl]-2,3-dihydroindole-5-carboxamide
CID 38262055
N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]-1-propanoyl-2,3-dihydroindole-5-carboxamide
CID 55789985
2-[[(1-acetyl-2,3-dihydroindole-5-carbonyl)amino]methyl]-3-phenylpropanoic acid
CID 119233763
1-acetyl-N-[2-[[acetyl(ethyl)amino]methyl]phenyl]-2,3-dihydroindole-5-carboxamide
CID 34717716
1-acetyl-N-(3-aminopropyl)-2,3-dihydroindole-5-carboxamide
CID 119259829
1-acetyl-N,N-dibenzyl-2,3-dihydroindole-5-carboxamide
CID 51271981
1-propanoyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]-2,3-dihydroindole-5-carboxamide
CID 55788815
1-acetyl-N-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]-2,3-dihydroindole-5-carboxamide
CID 51865035
1-acetyl-N-[3-(methylamino)propyl]-2,3-dihydroindole-5-carboxamide;hydrochloride
CID 119259944
1-acetyl-N-hexyl-2,3-dihydroindole-5-carboxamide
CID 46538156
benzyl 2-[(1-acetyl-2,3-dihydroindole-5-carbonyl)amino]acetate
CID 30581650
1-acetyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]-2,3-dihydroindole-5-carboxamide
CID 46412762

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-[[2-[(dimethylamino)methyl]phenyl]methyl]-2,3-dihydroindole-5-carboxamide?
The IUPAC name of 1-acetyl-N-[[2-[(dimethylamino)methyl]phenyl]methyl]-2,3-dihydroindole-5-carboxamide (CID 24550296) is 1-acetyl-N-[[2-[(dimethylamino)methyl]phenyl]methyl]-2,3-dihydroindole-5-carboxamide.
What is the SMILES notation for 1-acetyl-N-[[2-[(dimethylamino)methyl]phenyl]methyl]-2,3-dihydroindole-5-carboxamide?
The canonical SMILES for 1-acetyl-N-[[2-[(dimethylamino)methyl]phenyl]methyl]-2,3-dihydroindole-5-carboxamide is CC(=O)N1CCc2cc(C(=O)NCc3ccccc3CN(C)C)ccc21.
What is the InChIKey of 1-acetyl-N-[[2-[(dimethylamino)methyl]phenyl]methyl]-2,3-dihydroindole-5-carboxamide?
The InChIKey is IBVYLTRGYFENGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O2/c1-15(25)24-11-10-16-12-17(8-9-20(16)24)21(26)22-13-18-6-4-5-7-19(18)14-23(2)3/h4-9,12H,10-11,13-14H2,1-3H3,(H,22,26).
What are the key properties of 1-acetyl-N-[[2-[(dimethylamino)methyl]phenyl]methyl]-2,3-dihydroindole-5-carboxamide?
1-acetyl-N-[[2-[(dimethylamino)methyl]phenyl]methyl]-2,3-dihydroindole-5-carboxamide has a molecular weight of 351.45 g/mol, XLogP of 2.59, 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-[(dimethylamino)methyl]phenyl]methyl]-2,3-dihydroindole-5-carboxamide is sourced from PubChem (CID 24550296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).