N,N-dibenzyl-2-(2,3-dihydro-1H-indol-3-yl)-2-oxoacetamide

C24H22N2O2 — CID 71023643

IUPACN,N-dibenzyl-2-(2,3-dihydro-1H-indol-3-yl)-2-oxoacetamide
SMILESO=C(C(=O)N(Cc1ccccc1)Cc1ccccc1)C1CNc2ccccc21
InChIInChI=1S/C24H22N2O2/c27-23(21-15-25-22-14-8-7-13-20(21)22)24(28)26(16-18-9-3-1-4-10-18)17-19-11-5-2-6-12-19/h1-14,21,25H,15-17H2
InChIKeyZZTLHJDFAMMWHD-UHFFFAOYSA-N
MW370.45 g/mol
LogP3.99
Rot. Bonds6

About N,N-dibenzyl-2-(2,3-dihydro-1H-indol-3-yl)-2-oxoacetamide

N,N-dibenzyl-2-(2,3-dihydro-1H-indol-3-yl)-2-oxoacetamide (PubChem CID 71023643) has the molecular formula C24H22N2O2 and a molecular weight of 370.45 g/mol. Its IUPAC name is N,N-dibenzyl-2-(2,3-dihydro-1H-indol-3-yl)-2-oxoacetamide.

Molecular Properties

Compound NameN,N-dibenzyl-2-(2,3-dihydro-1H-indol-3-yl)-2-oxoacetamide
PubChem CID71023643
Molecular FormulaC24H22N2O2
Molecular Weight370.45 g/mol
Exact Mass370.17
IUPAC NameN,N-dibenzyl-2-(2,3-dihydro-1H-indol-3-yl)-2-oxoacetamide
SMILESO=C(C(=O)N(Cc1ccccc1)Cc1ccccc1)C1CNc2ccccc21
InChIInChI=1S/C24H22N2O2/c27-23(21-15-25-22-14-8-7-13-20(21)22)24(28)26(16-18-9-3-1-4-10-18)17-19-11-5-2-6-12-19/h1-14,21,25H,15-17H2
InChIKeyZZTLHJDFAMMWHD-UHFFFAOYSA-N
XLogP3.99
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-[[3-(aminomethyl)phenyl]methyl]-N-(cyclohexylmethyl)-2-(2,3-dihydro-1H-indol-3-yl)-2-oxoacetamide
CID 70235809
methyl 2,3-dihydro-1H-indole-3-carboxylate
CID 45073772
2-[2,3-dihydro-1H-indole-3-carbonyl(2-methoxyethyl)amino]acetic acid
CID 80567157
N-(1,3-dihydroxypropan-2-yl)-2,3-dihydro-1H-indole-3-carboxamide
CID 80567229
2-[2,3-dihydro-1H-indole-3-carbonyl(propan-2-yl)amino]acetic acid
CID 80565595
2-(2,3-dihydro-1H-indol-3-yl)-2-oxoacetaldehyde;hydrobromide
CID 174877397
1-(2,3-dihydro-1H-indol-3-yl)-2-(3-fluorophenyl)ethanone
CID 116594496
N-[(3-hydroxycyclobutyl)methyl]-N-methyl-2,3-dihydro-1H-indole-3-carboxamide
CID 80567177
N-cyclohexyl-N-(2-hydroxyethyl)-2,3-dihydro-1H-indole-3-carboxamide
CID 80564783
(2-chlorophenyl)-(2,3-dihydro-1H-indol-3-yl)methanone
CID 116594499
2-[2,3-dihydro-1H-indole-3-carbonyl(methyl)amino]propanoic acid
CID 80566211
N-(cyclopropylmethyl)-N-methyl-2,3-dihydro-1H-indole-3-carboxamide
CID 80565251

Frequently Asked Questions

What is the IUPAC name of N,N-dibenzyl-2-(2,3-dihydro-1H-indol-3-yl)-2-oxoacetamide?
The IUPAC name of N,N-dibenzyl-2-(2,3-dihydro-1H-indol-3-yl)-2-oxoacetamide (CID 71023643) is N,N-dibenzyl-2-(2,3-dihydro-1H-indol-3-yl)-2-oxoacetamide.
What is the SMILES notation for N,N-dibenzyl-2-(2,3-dihydro-1H-indol-3-yl)-2-oxoacetamide?
The canonical SMILES for N,N-dibenzyl-2-(2,3-dihydro-1H-indol-3-yl)-2-oxoacetamide is O=C(C(=O)N(Cc1ccccc1)Cc1ccccc1)C1CNc2ccccc21.
What is the InChIKey of N,N-dibenzyl-2-(2,3-dihydro-1H-indol-3-yl)-2-oxoacetamide?
The InChIKey is ZZTLHJDFAMMWHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O2/c27-23(21-15-25-22-14-8-7-13-20(21)22)24(28)26(16-18-9-3-1-4-10-18)17-19-11-5-2-6-12-19/h1-14,21,25H,15-17H2.
What are the key properties of N,N-dibenzyl-2-(2,3-dihydro-1H-indol-3-yl)-2-oxoacetamide?
N,N-dibenzyl-2-(2,3-dihydro-1H-indol-3-yl)-2-oxoacetamide has a molecular weight of 370.45 g/mol, XLogP of 3.99, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibenzyl-2-(2,3-dihydro-1H-indol-3-yl)-2-oxoacetamide is sourced from PubChem (CID 71023643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).