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

C18H25N3O3 — CID 9476686

IUPACN-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide
SMILESCC(C)NC(=O)CN(C)C(=O)c1cccc(CN2CCCC2=O)c1
InChIInChI=1S/C18H25N3O3/c1-13(2)19-16(22)12-20(3)18(24)15-7-4-6-14(10-15)11-21-9-5-8-17(21)23/h4,6-7,10,13H,5,8-9,11-12H2,1-3H3,(H,19,22)
InChIKeyGJZSVVQQMFJAKW-UHFFFAOYSA-N
MW331.42 g/mol
LogP1.41
Rot. Bonds6

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

N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide (PubChem CID 9476686) has the molecular formula C18H25N3O3 and a molecular weight of 331.42 g/mol. Its IUPAC name is N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide.

Molecular Properties

Compound NameN-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide
PubChem CID9476686
Molecular FormulaC18H25N3O3
Molecular Weight331.42 g/mol
Exact Mass331.19
IUPAC NameN-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide
SMILESCC(C)NC(=O)CN(C)C(=O)c1cccc(CN2CCCC2=O)c1
InChIInChI=1S/C18H25N3O3/c1-13(2)19-16(22)12-20(3)18(24)15-7-4-6-14(10-15)11-21-9-5-8-17(21)23/h4,6-7,10,13H,5,8-9,11-12H2,1-3H3,(H,19,22)
InChIKeyGJZSVVQQMFJAKW-UHFFFAOYSA-N
XLogP1.41
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-methyl-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 46584276
N-[(4-bromophenyl)methyl]-N-methyl-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 9159383
N-[(2-hydroxycyclohexyl)methyl]-N-methyl-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 110003976
N-ethyl-3-[(2-oxopyrrolidin-1-yl)methyl]-N-pentan-3-ylbenzamide
CID 126804160
N-[(4,5-dimethoxy-2-methylphenyl)methyl]-N-methyl-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 9277349
N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-N-methyl-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 51933016
N-(2-benzamidoethyl)-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 38231106
N-(2-methyl-3-pyrrolidin-1-ylpropyl)-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 87025907
N-[2-oxo-2-(propylamino)ethyl]-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 9163457
N-[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 9162465
methyl (2S)-3,3-dimethyl-2-[[3-[(2-oxopyrrolidin-1-yl)methyl]benzoyl]amino]butanoate
CID 56794232
N-[(1S)-1-(1,3-benzothiazol-2-yl)ethyl]-N-methyl-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 9469630

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide?
The IUPAC name of N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide (CID 9476686) is N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide.
What is the SMILES notation for N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide?
The canonical SMILES for N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide is CC(C)NC(=O)CN(C)C(=O)c1cccc(CN2CCCC2=O)c1.
What is the InChIKey of N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide?
The InChIKey is GJZSVVQQMFJAKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O3/c1-13(2)19-16(22)12-20(3)18(24)15-7-4-6-14(10-15)11-21-9-5-8-17(21)23/h4,6-7,10,13H,5,8-9,11-12H2,1-3H3,(H,19,22).
What are the key properties of N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide?
N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide has a molecular weight of 331.42 g/mol, XLogP of 1.41, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide is sourced from PubChem (CID 9476686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).