N-[(3-methylphenyl)methyl]-2-oxo-N-propan-2-yl-2-pyrrolidin-1-ylacetamide

C17H24N2O2 — CID 46999197

IUPACN-[(3-methylphenyl)methyl]-2-oxo-N-propan-2-yl-2-pyrrolidin-1-ylacetamide
SMILESCc1cccc(CN(C(=O)C(=O)N2CCCC2)C(C)C)c1
InChIInChI=1S/C17H24N2O2/c1-13(2)19(12-15-8-6-7-14(3)11-15)17(21)16(20)18-9-4-5-10-18/h6-8,11,13H,4-5,9-10,12H2,1-3H3
InChIKeyAIJJMCCKPKFIOZ-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.35
Rot. Bonds3

About N-[(3-methylphenyl)methyl]-2-oxo-N-propan-2-yl-2-pyrrolidin-1-ylacetamide

N-[(3-methylphenyl)methyl]-2-oxo-N-propan-2-yl-2-pyrrolidin-1-ylacetamide (PubChem CID 46999197) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is N-[(3-methylphenyl)methyl]-2-oxo-N-propan-2-yl-2-pyrrolidin-1-ylacetamide.

Molecular Properties

Compound NameN-[(3-methylphenyl)methyl]-2-oxo-N-propan-2-yl-2-pyrrolidin-1-ylacetamide
PubChem CID46999197
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC NameN-[(3-methylphenyl)methyl]-2-oxo-N-propan-2-yl-2-pyrrolidin-1-ylacetamide
SMILESCc1cccc(CN(C(=O)C(=O)N2CCCC2)C(C)C)c1
InChIInChI=1S/C17H24N2O2/c1-13(2)19(12-15-8-6-7-14(3)11-15)17(21)16(20)18-9-4-5-10-18/h6-8,11,13H,4-5,9-10,12H2,1-3H3
InChIKeyAIJJMCCKPKFIOZ-UHFFFAOYSA-N
XLogP2.35
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(4-Benzhydrylpiperazin-1-yl)ethanone
CID 885644
1H-Pyrrole-2,5-dione, 1,1'-(1,3-phenylenebis(methylene))bis(3-methyl-
CID 11587850
Acetamide, N-benzyl-2-(1-pyrrolidinyl)-, hydrochloride
CID 2959243
Smac peptido-mimetic 1
CID 11200722
(R)-N-Benzyl-2-(2,5-dioxopyrrolidin-1-yl)propanamide
CID 155213164
Acetamide, N-(alpha-cyclohexylbenzyl)-2-(diethylamino)-
CID 209457
1-Pyrrolidineacetamide, N-(diphenylmethyl)-
CID 216501
Acetamide, 2-(diethylamino)-N-(phenylmethyl)-
CID 969777
1-Pyrrolidineacetamide, N-(phenylmethyl)-
CID 2214094
2-(Diethylamino)-N-(1-phenylethyl)ethanimidic acid
CID 209462
(2S)-1-[(2S)-2-[(2S)-2-aminobutanamido]-3-methylbutanoyl]-N-benzylpyrrolidine-2-carboxamide
CID 23646337
L-valyl-L-proline benzylamide
CID 11645153

Frequently Asked Questions

What is the IUPAC name of N-[(3-methylphenyl)methyl]-2-oxo-N-propan-2-yl-2-pyrrolidin-1-ylacetamide?
The IUPAC name of N-[(3-methylphenyl)methyl]-2-oxo-N-propan-2-yl-2-pyrrolidin-1-ylacetamide (CID 46999197) is N-[(3-methylphenyl)methyl]-2-oxo-N-propan-2-yl-2-pyrrolidin-1-ylacetamide.
What is the SMILES notation for N-[(3-methylphenyl)methyl]-2-oxo-N-propan-2-yl-2-pyrrolidin-1-ylacetamide?
The canonical SMILES for N-[(3-methylphenyl)methyl]-2-oxo-N-propan-2-yl-2-pyrrolidin-1-ylacetamide is Cc1cccc(CN(C(=O)C(=O)N2CCCC2)C(C)C)c1.
What is the InChIKey of N-[(3-methylphenyl)methyl]-2-oxo-N-propan-2-yl-2-pyrrolidin-1-ylacetamide?
The InChIKey is AIJJMCCKPKFIOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-13(2)19(12-15-8-6-7-14(3)11-15)17(21)16(20)18-9-4-5-10-18/h6-8,11,13H,4-5,9-10,12H2,1-3H3.
What are the key properties of N-[(3-methylphenyl)methyl]-2-oxo-N-propan-2-yl-2-pyrrolidin-1-ylacetamide?
N-[(3-methylphenyl)methyl]-2-oxo-N-propan-2-yl-2-pyrrolidin-1-ylacetamide has a molecular weight of 288.39 g/mol, XLogP of 2.35, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methylphenyl)methyl]-2-oxo-N-propan-2-yl-2-pyrrolidin-1-ylacetamide is sourced from PubChem (CID 46999197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).