2-[[2-(4,7-dimethyl-2-oxo-1,3-dihydroindol-3-yl)acetyl]amino]-N-methyl-N,3-diphenylpropanamide

C28H29N3O3 — CID 166790111

IUPAC2-[[2-(4,7-dimethyl-2-oxo-1,3-dihydroindol-3-yl)acetyl]amino]-N-methyl-N,3-diphenylpropanamide
SMILESCc1ccc(C)c2c1NC(=O)C2CC(=O)NC(Cc1ccccc1)C(=O)N(C)c1ccccc1
InChIInChI=1S/C28H29N3O3/c1-18-14-15-19(2)26-25(18)22(27(33)30-26)17-24(32)29-23(16-20-10-6-4-7-11-20)28(34)31(3)21-12-8-5-9-13-21/h4-15,22-23H,16-17H2,1-3H3,(H,29,32)(H,30,33)
InChIKeyDFQNQGVZIGWYEY-UHFFFAOYSA-N
MW455.56 g/mol
LogP4.12
Rot. Bonds7

About 2-[[2-(4,7-dimethyl-2-oxo-1,3-dihydroindol-3-yl)acetyl]amino]-N-methyl-N,3-diphenylpropanamide

2-[[2-(4,7-dimethyl-2-oxo-1,3-dihydroindol-3-yl)acetyl]amino]-N-methyl-N,3-diphenylpropanamide (PubChem CID 166790111) has the molecular formula C28H29N3O3 and a molecular weight of 455.56 g/mol. Its IUPAC name is 2-[[2-(4,7-dimethyl-2-oxo-1,3-dihydroindol-3-yl)acetyl]amino]-N-methyl-N,3-diphenylpropanamide.

Molecular Properties

Compound Name2-[[2-(4,7-dimethyl-2-oxo-1,3-dihydroindol-3-yl)acetyl]amino]-N-methyl-N,3-diphenylpropanamide
PubChem CID166790111
Molecular FormulaC28H29N3O3
Molecular Weight455.56 g/mol
Exact Mass455.22
IUPAC Name2-[[2-(4,7-dimethyl-2-oxo-1,3-dihydroindol-3-yl)acetyl]amino]-N-methyl-N,3-diphenylpropanamide
SMILESCc1ccc(C)c2c1NC(=O)C2CC(=O)NC(Cc1ccccc1)C(=O)N(C)c1ccccc1
InChIInChI=1S/C28H29N3O3/c1-18-14-15-19(2)26-25(18)22(27(33)30-26)17-24(32)29-23(16-20-10-6-4-7-11-20)28(34)31(3)21-12-8-5-9-13-21/h4-15,22-23H,16-17H2,1-3H3,(H,29,32)(H,30,33)
InChIKeyDFQNQGVZIGWYEY-UHFFFAOYSA-N
XLogP4.12
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.56
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[[2-(4,7-dimethyl-2-oxo-1,3-dihydroindol-3-yl)acetyl]amino]-N-methyl-N,3-diphenylpropanamide with MolForge

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Related Compounds

N-(4-chlorophenyl)-N-methyl-2-[[2-(7-methyl-2-oxo-1,3-dihydroindol-3-yl)acetyl]amino]-3-phenylpropanamide
CID 162471120
(2S)-N-methyl-N,3-diphenyl-2-[[2-(2,4,7-trimethyl-1H-indol-3-yl)acetyl]amino]propanamide
CID 71596203
N-[(2S)-1-(N-methylanilino)-1-oxo-3-phenylpropan-2-yl]cyclopropanecarboxamide
CID 71999049
4-(methylamino)-N-[(2S)-1-(N-methylanilino)-1-oxo-3-phenylpropan-2-yl]butanamide
CID 119805944
4-(methylamino)-N-[(2S)-1-(N-methylanilino)-1-oxo-3-phenylpropan-2-yl]butanamide;hydrochloride
CID 119805943
(2S)-N-methyl-2-[[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]-N-(4-methylphenyl)-3-phenylpropanamide
CID 161490663
N'-[1-(4-methoxy-N-methylanilino)-1-oxo-3-phenylpropan-2-yl]-N-[(2S)-1-(4-methoxy-N-methylanilino)-1-oxo-3-phenylpropan-2-yl]propanediamide
CID 134344773
(2S)-2-[[2-(1-ethyl-2,4,7-trimethylindol-3-yl)acetyl]amino]-N-methyl-N,3-diphenylpropanamide
CID 71594954
tert-butyl N-[1-(N-methylanilino)-1-oxo-3-phenylpropan-2-yl]carbamate
CID 42943863
N-[2-[[1-(4-fluoro-N-methylanilino)-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]benzamide
CID 162471156
(2S)-N-(4-chlorophenyl)-N-methyl-2-[(2-naphthalen-1-ylacetyl)amino]-3-phenylpropanamide;(2S)-N-methyl-N-(4-methylphenyl)-2-[(2-naphthalen-1-ylacetyl)amino]-3-phenylpropanamide;(2S)-N-methyl-2-[(2-naphthalen-1-ylacetyl)amino]-N,3-diphenylpropanamide
CID 159703025
N-methyl-N-(4-methylphenyl)-2-[(2-naphthalen-1-ylacetyl)amino]-3-phenylpropanamide
CID 162471130

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4,7-dimethyl-2-oxo-1,3-dihydroindol-3-yl)acetyl]amino]-N-methyl-N,3-diphenylpropanamide?
The IUPAC name of 2-[[2-(4,7-dimethyl-2-oxo-1,3-dihydroindol-3-yl)acetyl]amino]-N-methyl-N,3-diphenylpropanamide (CID 166790111) is 2-[[2-(4,7-dimethyl-2-oxo-1,3-dihydroindol-3-yl)acetyl]amino]-N-methyl-N,3-diphenylpropanamide.
What is the SMILES notation for 2-[[2-(4,7-dimethyl-2-oxo-1,3-dihydroindol-3-yl)acetyl]amino]-N-methyl-N,3-diphenylpropanamide?
The canonical SMILES for 2-[[2-(4,7-dimethyl-2-oxo-1,3-dihydroindol-3-yl)acetyl]amino]-N-methyl-N,3-diphenylpropanamide is Cc1ccc(C)c2c1NC(=O)C2CC(=O)NC(Cc1ccccc1)C(=O)N(C)c1ccccc1.
What is the InChIKey of 2-[[2-(4,7-dimethyl-2-oxo-1,3-dihydroindol-3-yl)acetyl]amino]-N-methyl-N,3-diphenylpropanamide?
The InChIKey is DFQNQGVZIGWYEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29N3O3/c1-18-14-15-19(2)26-25(18)22(27(33)30-26)17-24(32)29-23(16-20-10-6-4-7-11-20)28(34)31(3)21-12-8-5-9-13-21/h4-15,22-23H,16-17H2,1-3H3,(H,29,32)(H,30,33).
What are the key properties of 2-[[2-(4,7-dimethyl-2-oxo-1,3-dihydroindol-3-yl)acetyl]amino]-N-methyl-N,3-diphenylpropanamide?
2-[[2-(4,7-dimethyl-2-oxo-1,3-dihydroindol-3-yl)acetyl]amino]-N-methyl-N,3-diphenylpropanamide has a molecular weight of 455.56 g/mol, XLogP of 4.12, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4,7-dimethyl-2-oxo-1,3-dihydroindol-3-yl)acetyl]amino]-N-methyl-N,3-diphenylpropanamide is sourced from PubChem (CID 166790111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).