3-[(2S)-2-benzyl-5-oxopyrrolidin-2-yl]-N-methyl-N-(quinolin-5-ylmethyl)propanamide

C25H27N3O2 — CID 26349743

IUPAC3-[(2S)-2-benzyl-5-oxopyrrolidin-2-yl]-N-methyl-N-(quinolin-5-ylmethyl)propanamide
SMILESCN(Cc1cccc2ncccc12)C(=O)CC[C@]1(Cc2ccccc2)CCC(=O)N1
InChIInChI=1S/C25H27N3O2/c1-28(18-20-9-5-11-22-21(20)10-6-16-26-22)24(30)13-15-25(14-12-23(29)27-25)17-19-7-3-2-4-8-19/h2-11,16H,12-15,17-18H2,1H3,(H,27,29)/t25-/m0/s1
InChIKeyJWFWVXVEOMVUJN-VWLOTQADSA-N
MW401.51 g/mol
LogP3.86
Rot. Bonds7

About 3-[(2S)-2-benzyl-5-oxopyrrolidin-2-yl]-N-methyl-N-(quinolin-5-ylmethyl)propanamide

3-[(2S)-2-benzyl-5-oxopyrrolidin-2-yl]-N-methyl-N-(quinolin-5-ylmethyl)propanamide (PubChem CID 26349743) has the molecular formula C25H27N3O2 and a molecular weight of 401.51 g/mol. Its IUPAC name is 3-[(2S)-2-benzyl-5-oxopyrrolidin-2-yl]-N-methyl-N-(quinolin-5-ylmethyl)propanamide.

Molecular Properties

Compound Name3-[(2S)-2-benzyl-5-oxopyrrolidin-2-yl]-N-methyl-N-(quinolin-5-ylmethyl)propanamide
PubChem CID26349743
Molecular FormulaC25H27N3O2
Molecular Weight401.51 g/mol
Exact Mass401.21
IUPAC Name3-[(2S)-2-benzyl-5-oxopyrrolidin-2-yl]-N-methyl-N-(quinolin-5-ylmethyl)propanamide
SMILESCN(Cc1cccc2ncccc12)C(=O)CC[C@]1(Cc2ccccc2)CCC(=O)N1
InChIInChI=1S/C25H27N3O2/c1-28(18-20-9-5-11-22-21(20)10-6-16-26-22)24(30)13-15-25(14-12-23(29)27-25)17-19-7-3-2-4-8-19/h2-11,16H,12-15,17-18H2,1H3,(H,27,29)/t25-/m0/s1
InChIKeyJWFWVXVEOMVUJN-VWLOTQADSA-N
XLogP3.86
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.51
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-benzyl-5-oxopyrrolidin-2-yl)-N-methyl-N-(quinolin-5-ylmethyl)propanamide
CID 45244552
3-[2-[3-[methyl(quinolin-4-ylmethyl)amino]-3-oxopropyl]-5-oxopyrrolidin-2-yl]propanoic acid
CID 91765299
N-[(8-methoxyquinolin-5-yl)methyl]-N-methyl-3-[5-oxo-2-(thiophen-3-ylmethyl)pyrrolidin-2-yl]propanamide
CID 45185104
N-methyl-3-[(2S)-5-oxo-2-[(4-phenylphenyl)methyl]pyrrolidin-2-yl]-N-(1H-pyrazol-5-ylmethyl)propanamide
CID 42471156
N-methyl-3-[2-[(4-methylsulfanylphenyl)methyl]-5-oxopyrrolidin-2-yl]-N-(quinoxalin-6-ylmethyl)propanamide
CID 45208504
3-[2-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-2-yl]-N-methyl-N-[(4-methylphenyl)methyl]propanamide
CID 45168528
N-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-N-methyl-3-[2-(naphthalen-1-ylmethyl)-5-oxopyrrolidin-2-yl]propanamide
CID 45224221
N-benzyl-3-(2-benzyl-5-oxopyrrolidin-2-yl)propanamide
CID 45238839
3-[2-[(4-chlorophenyl)methyl]-5-oxopyrrolidin-2-yl]-N-methyl-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]propanamide
CID 45179174
3-(benzenesulfonyl)-N-methyl-N-(quinolin-5-ylmethyl)propanamide
CID 70709829
N-methyl-3-[2-(naphthalen-2-ylmethyl)-5-oxopyrrolidin-2-yl]-N-(1,2-oxazol-5-ylmethyl)propanamide
CID 126463504
3-[2-[(4-methoxynaphthalen-1-yl)methyl]-5-oxopyrrolidin-2-yl]-N-methyl-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]propanamide
CID 135892921

Frequently Asked Questions

What is the IUPAC name of 3-[(2S)-2-benzyl-5-oxopyrrolidin-2-yl]-N-methyl-N-(quinolin-5-ylmethyl)propanamide?
The IUPAC name of 3-[(2S)-2-benzyl-5-oxopyrrolidin-2-yl]-N-methyl-N-(quinolin-5-ylmethyl)propanamide (CID 26349743) is 3-[(2S)-2-benzyl-5-oxopyrrolidin-2-yl]-N-methyl-N-(quinolin-5-ylmethyl)propanamide.
What is the SMILES notation for 3-[(2S)-2-benzyl-5-oxopyrrolidin-2-yl]-N-methyl-N-(quinolin-5-ylmethyl)propanamide?
The canonical SMILES for 3-[(2S)-2-benzyl-5-oxopyrrolidin-2-yl]-N-methyl-N-(quinolin-5-ylmethyl)propanamide is CN(Cc1cccc2ncccc12)C(=O)CC[C@]1(Cc2ccccc2)CCC(=O)N1.
What is the InChIKey of 3-[(2S)-2-benzyl-5-oxopyrrolidin-2-yl]-N-methyl-N-(quinolin-5-ylmethyl)propanamide?
The InChIKey is JWFWVXVEOMVUJN-VWLOTQADSA-N. The full InChI is InChI=1S/C25H27N3O2/c1-28(18-20-9-5-11-22-21(20)10-6-16-26-22)24(30)13-15-25(14-12-23(29)27-25)17-19-7-3-2-4-8-19/h2-11,16H,12-15,17-18H2,1H3,(H,27,29)/t25-/m0/s1.
What are the key properties of 3-[(2S)-2-benzyl-5-oxopyrrolidin-2-yl]-N-methyl-N-(quinolin-5-ylmethyl)propanamide?
3-[(2S)-2-benzyl-5-oxopyrrolidin-2-yl]-N-methyl-N-(quinolin-5-ylmethyl)propanamide has a molecular weight of 401.51 g/mol, XLogP of 3.86, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2S)-2-benzyl-5-oxopyrrolidin-2-yl]-N-methyl-N-(quinolin-5-ylmethyl)propanamide is sourced from PubChem (CID 26349743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).