N-(2,3-dimethylphenyl)-2-[methyl-(2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl)amino]acetamide

C23H29N3O2 — CID 43021751

IUPACN-(2,3-dimethylphenyl)-2-[methyl-(2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl)amino]acetamide
SMILESCc1cccc(NC(=O)CN(C)C(C(=O)N2CCCC2)c2ccccc2)c1C
InChIInChI=1S/C23H29N3O2/c1-17-10-9-13-20(18(17)2)24-21(27)16-25(3)22(19-11-5-4-6-12-19)23(28)26-14-7-8-15-26/h4-6,9-13,22H,7-8,14-16H2,1-3H3,(H,24,27)
InChIKeyHVQZTHHCKUPKEM-UHFFFAOYSA-N
MW379.50 g/mol
LogP3.54
Rot. Bonds6

About N-(2,3-dimethylphenyl)-2-[methyl-(2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl)amino]acetamide

N-(2,3-dimethylphenyl)-2-[methyl-(2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl)amino]acetamide (PubChem CID 43021751) has the molecular formula C23H29N3O2 and a molecular weight of 379.50 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)-2-[methyl-(2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl)amino]acetamide.

Molecular Properties

Compound NameN-(2,3-dimethylphenyl)-2-[methyl-(2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl)amino]acetamide
PubChem CID43021751
Molecular FormulaC23H29N3O2
Molecular Weight379.50 g/mol
Exact Mass379.23
IUPAC NameN-(2,3-dimethylphenyl)-2-[methyl-(2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl)amino]acetamide
SMILESCc1cccc(NC(=O)CN(C)C(C(=O)N2CCCC2)c2ccccc2)c1C
InChIInChI=1S/C23H29N3O2/c1-17-10-9-13-20(18(17)2)24-21(27)16-25(3)22(19-11-5-4-6-12-19)23(28)26-14-7-8-15-26/h4-6,9-13,22H,7-8,14-16H2,1-3H3,(H,24,27)
InChIKeyHVQZTHHCKUPKEM-UHFFFAOYSA-N
XLogP3.54
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.50
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(diethylamino)-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methyl-2-phenylacetamide
CID 56538678
2-[methyl-[(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl]amino]-N-(4-methylphenyl)acetamide
CID 8785626
2-[[(1R)-1-(2-chlorophenyl)ethyl]-methylamino]-N-(2,3-dimethylphenyl)acetamide
CID 9287667
N-(2,3-dimethylphenyl)-2-[methyl-[2-[methyl-[(1R)-1-phenylethyl]amino]-2-oxoethyl]amino]acetamide
CID 9348322
N-butan-2-yl-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]acetamide
CID 42927926
2-(2,3-dimethylanilino)-1-pyrrolidin-1-ylpropan-1-one
CID 42912733
3-amino-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N,2-dimethyl-3-phenylpropanamide
CID 119684102
1-(azetidin-1-yl)-2-(dimethylamino)-2-phenylethanone
CID 143781078
N-(2,3-dimethylphenyl)-2-[(2-hydroxycyclohexyl)-methylamino]acetamide
CID 110883640
3-[acetyl(1-phenylethyl)amino]-N-(2,3-dimethylphenyl)propanamide
CID 113118985
N-(4-acetamidophenyl)-2-[ethyl-[(1S)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl]amino]acetamide
CID 8791437
2-[[(2S)-butan-2-yl]-(2-phenylsulfanylacetyl)amino]-N-(2,3-dimethylphenyl)acetamide
CID 7821075

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylphenyl)-2-[methyl-(2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl)amino]acetamide?
The IUPAC name of N-(2,3-dimethylphenyl)-2-[methyl-(2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl)amino]acetamide (CID 43021751) is N-(2,3-dimethylphenyl)-2-[methyl-(2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl)amino]acetamide.
What is the SMILES notation for N-(2,3-dimethylphenyl)-2-[methyl-(2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl)amino]acetamide?
The canonical SMILES for N-(2,3-dimethylphenyl)-2-[methyl-(2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl)amino]acetamide is Cc1cccc(NC(=O)CN(C)C(C(=O)N2CCCC2)c2ccccc2)c1C.
What is the InChIKey of N-(2,3-dimethylphenyl)-2-[methyl-(2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl)amino]acetamide?
The InChIKey is HVQZTHHCKUPKEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O2/c1-17-10-9-13-20(18(17)2)24-21(27)16-25(3)22(19-11-5-4-6-12-19)23(28)26-14-7-8-15-26/h4-6,9-13,22H,7-8,14-16H2,1-3H3,(H,24,27).
What are the key properties of N-(2,3-dimethylphenyl)-2-[methyl-(2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl)amino]acetamide?
N-(2,3-dimethylphenyl)-2-[methyl-(2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl)amino]acetamide has a molecular weight of 379.50 g/mol, XLogP of 3.54, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylphenyl)-2-[methyl-(2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl)amino]acetamide is sourced from PubChem (CID 43021751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).