2-methyl-N-[2-oxo-2-[3-(2-oxopyrrolidin-1-yl)propylamino]ethyl]benzamide

C17H23N3O3 — CID 46522177

IUPAC2-methyl-N-[2-oxo-2-[3-(2-oxopyrrolidin-1-yl)propylamino]ethyl]benzamide
SMILESCc1ccccc1C(=O)NCC(=O)NCCCN1CCCC1=O
InChIInChI=1S/C17H23N3O3/c1-13-6-2-3-7-14(13)17(23)19-12-15(21)18-9-5-11-20-10-4-8-16(20)22/h2-3,6-7H,4-5,8-12H2,1H3,(H,18,21)(H,19,23)
InChIKeyMZLWMONXTFGERE-UHFFFAOYSA-N
MW317.39 g/mol
LogP0.85
Rot. Bonds7

About 2-methyl-N-[2-oxo-2-[3-(2-oxopyrrolidin-1-yl)propylamino]ethyl]benzamide

2-methyl-N-[2-oxo-2-[3-(2-oxopyrrolidin-1-yl)propylamino]ethyl]benzamide (PubChem CID 46522177) has the molecular formula C17H23N3O3 and a molecular weight of 317.39 g/mol. Its IUPAC name is 2-methyl-N-[2-oxo-2-[3-(2-oxopyrrolidin-1-yl)propylamino]ethyl]benzamide.

Molecular Properties

Compound Name2-methyl-N-[2-oxo-2-[3-(2-oxopyrrolidin-1-yl)propylamino]ethyl]benzamide
PubChem CID46522177
Molecular FormulaC17H23N3O3
Molecular Weight317.39 g/mol
Exact Mass317.17
IUPAC Name2-methyl-N-[2-oxo-2-[3-(2-oxopyrrolidin-1-yl)propylamino]ethyl]benzamide
SMILESCc1ccccc1C(=O)NCC(=O)NCCCN1CCCC1=O
InChIInChI=1S/C17H23N3O3/c1-13-6-2-3-7-14(13)17(23)19-12-15(21)18-9-5-11-20-10-4-8-16(20)22/h2-3,6-7H,4-5,8-12H2,1H3,(H,18,21)(H,19,23)
InChIKeyMZLWMONXTFGERE-UHFFFAOYSA-N
XLogP0.85
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-[3-oxo-3-[3-(2-oxopyrrolidin-1-yl)propylamino]propyl]benzamide
CID 30483231
N-[2-oxo-2-[3-(2-oxoazepan-1-yl)propylamino]ethyl]-2-phenylacetamide
CID 78802507
N-[3-(2-oxopyrrolidin-1-yl)propyl]-2-(4-phenylphenyl)acetamide
CID 27258939
2-methyl-N'-[2-(2-oxopyrrolidin-1-yl)acetyl]benzohydrazide
CID 9224240
2-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1H-pyridine-3-carboxamide
CID 34842840
2-methoxy-N-[3-(2-oxoazepan-1-yl)propyl]benzamide
CID 78802433
N-[3-(2-oxopyrrolidin-1-yl)propyl]-2-sulfanylidene-1H-pyridine-3-carboxamide
CID 35991644
N-[3-(2-oxopyrrolidin-1-yl)propyl]butanamide
CID 123515256
1,3-dimethyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyrazole-4-carboxamide;hydrochloride
CID 45284452
1-(2,6-dimethylphenyl)-3-[3-(2-oxopyrrolidin-1-yl)propyl]thiourea
CID 2373826
2-(dibenzylamino)-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
CID 86977003
2-(2,5-dimethylphenyl)sulfanyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
CID 35499280

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-oxo-2-[3-(2-oxopyrrolidin-1-yl)propylamino]ethyl]benzamide?
The IUPAC name of 2-methyl-N-[2-oxo-2-[3-(2-oxopyrrolidin-1-yl)propylamino]ethyl]benzamide (CID 46522177) is 2-methyl-N-[2-oxo-2-[3-(2-oxopyrrolidin-1-yl)propylamino]ethyl]benzamide.
What is the SMILES notation for 2-methyl-N-[2-oxo-2-[3-(2-oxopyrrolidin-1-yl)propylamino]ethyl]benzamide?
The canonical SMILES for 2-methyl-N-[2-oxo-2-[3-(2-oxopyrrolidin-1-yl)propylamino]ethyl]benzamide is Cc1ccccc1C(=O)NCC(=O)NCCCN1CCCC1=O.
What is the InChIKey of 2-methyl-N-[2-oxo-2-[3-(2-oxopyrrolidin-1-yl)propylamino]ethyl]benzamide?
The InChIKey is MZLWMONXTFGERE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3/c1-13-6-2-3-7-14(13)17(23)19-12-15(21)18-9-5-11-20-10-4-8-16(20)22/h2-3,6-7H,4-5,8-12H2,1H3,(H,18,21)(H,19,23).
What are the key properties of 2-methyl-N-[2-oxo-2-[3-(2-oxopyrrolidin-1-yl)propylamino]ethyl]benzamide?
2-methyl-N-[2-oxo-2-[3-(2-oxopyrrolidin-1-yl)propylamino]ethyl]benzamide has a molecular weight of 317.39 g/mol, XLogP of 0.85, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-oxo-2-[3-(2-oxopyrrolidin-1-yl)propylamino]ethyl]benzamide is sourced from PubChem (CID 46522177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).