N-methyl-N-[(3S)-1-methyl-2-oxopyrrolidin-3-yl]-3-(2-oxopyrrolidin-1-yl)benzamide

C17H21N3O3 — CID 95981005

IUPACN-methyl-N-[(3S)-1-methyl-2-oxopyrrolidin-3-yl]-3-(2-oxopyrrolidin-1-yl)benzamide
SMILESCN1CC[C@H](N(C)C(=O)c2cccc(N3CCCC3=O)c2)C1=O
InChIInChI=1S/C17H21N3O3/c1-18-10-8-14(17(18)23)19(2)16(22)12-5-3-6-13(11-12)20-9-4-7-15(20)21/h3,5-6,11,14H,4,7-10H2,1-2H3/t14-/m0/s1
InChIKeySTDGPPGRJQBYGX-AWEZNQCLSA-N
MW315.37 g/mol
LogP1.12
Rot. Bonds3

About N-methyl-N-[(3S)-1-methyl-2-oxopyrrolidin-3-yl]-3-(2-oxopyrrolidin-1-yl)benzamide

N-methyl-N-[(3S)-1-methyl-2-oxopyrrolidin-3-yl]-3-(2-oxopyrrolidin-1-yl)benzamide (PubChem CID 95981005) has the molecular formula C17H21N3O3 and a molecular weight of 315.37 g/mol. Its IUPAC name is N-methyl-N-[(3S)-1-methyl-2-oxopyrrolidin-3-yl]-3-(2-oxopyrrolidin-1-yl)benzamide.

Molecular Properties

Compound NameN-methyl-N-[(3S)-1-methyl-2-oxopyrrolidin-3-yl]-3-(2-oxopyrrolidin-1-yl)benzamide
PubChem CID95981005
Molecular FormulaC17H21N3O3
Molecular Weight315.37 g/mol
Exact Mass315.16
IUPAC NameN-methyl-N-[(3S)-1-methyl-2-oxopyrrolidin-3-yl]-3-(2-oxopyrrolidin-1-yl)benzamide
SMILESCN1CC[C@H](N(C)C(=O)c2cccc(N3CCCC3=O)c2)C1=O
InChIInChI=1S/C17H21N3O3/c1-18-10-8-14(17(18)23)19(2)16(22)12-5-3-6-13(11-12)20-9-4-7-15(20)21/h3,5-6,11,14H,4,7-10H2,1-2H3/t14-/m0/s1
InChIKeySTDGPPGRJQBYGX-AWEZNQCLSA-N
XLogP1.12
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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N-methyl-3-(2-oxopyrrolidin-1-yl)-N-(3-phenoxypropyl)benzamide
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N-[3-(dimethylamino)propyl]-3-(2-oxopyrrolidin-1-yl)benzamide
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N-[(2,4-dimethylphenyl)methyl]-N-methyl-3-(2-oxopyrrolidin-1-yl)benzamide
CID 9228105
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N-methyl-N-[(3-methylthiophen-2-yl)methyl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 9395109
N-[1-(3,4-difluorophenyl)ethyl]-N-methyl-3-(2-oxopyrrolidin-1-yl)benzamide
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CID 4063191

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(3S)-1-methyl-2-oxopyrrolidin-3-yl]-3-(2-oxopyrrolidin-1-yl)benzamide?
The IUPAC name of N-methyl-N-[(3S)-1-methyl-2-oxopyrrolidin-3-yl]-3-(2-oxopyrrolidin-1-yl)benzamide (CID 95981005) is N-methyl-N-[(3S)-1-methyl-2-oxopyrrolidin-3-yl]-3-(2-oxopyrrolidin-1-yl)benzamide.
What is the SMILES notation for N-methyl-N-[(3S)-1-methyl-2-oxopyrrolidin-3-yl]-3-(2-oxopyrrolidin-1-yl)benzamide?
The canonical SMILES for N-methyl-N-[(3S)-1-methyl-2-oxopyrrolidin-3-yl]-3-(2-oxopyrrolidin-1-yl)benzamide is CN1CC[C@H](N(C)C(=O)c2cccc(N3CCCC3=O)c2)C1=O.
What is the InChIKey of N-methyl-N-[(3S)-1-methyl-2-oxopyrrolidin-3-yl]-3-(2-oxopyrrolidin-1-yl)benzamide?
The InChIKey is STDGPPGRJQBYGX-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H21N3O3/c1-18-10-8-14(17(18)23)19(2)16(22)12-5-3-6-13(11-12)20-9-4-7-15(20)21/h3,5-6,11,14H,4,7-10H2,1-2H3/t14-/m0/s1.
What are the key properties of N-methyl-N-[(3S)-1-methyl-2-oxopyrrolidin-3-yl]-3-(2-oxopyrrolidin-1-yl)benzamide?
N-methyl-N-[(3S)-1-methyl-2-oxopyrrolidin-3-yl]-3-(2-oxopyrrolidin-1-yl)benzamide has a molecular weight of 315.37 g/mol, XLogP of 1.12, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(3S)-1-methyl-2-oxopyrrolidin-3-yl]-3-(2-oxopyrrolidin-1-yl)benzamide is sourced from PubChem (CID 95981005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).