N-methyl-4-[[methyl-[(2S)-3-methyl-2-(2-oxopyrrolidin-1-yl)butanoyl]amino]methyl]benzamide

C19H27N3O3 — CID 94821305

IUPACN-methyl-4-[[methyl-[(2S)-3-methyl-2-(2-oxopyrrolidin-1-yl)butanoyl]amino]methyl]benzamide
SMILESCNC(=O)c1ccc(CN(C)C(=O)[C@H](C(C)C)N2CCCC2=O)cc1
InChIInChI=1S/C19H27N3O3/c1-13(2)17(22-11-5-6-16(22)23)19(25)21(4)12-14-7-9-15(10-8-14)18(24)20-3/h7-10,13,17H,5-6,11-12H2,1-4H3,(H,20,24)/t17-/m0/s1
InChIKeyDOIAEMVMTXCZFI-KRWDZBQOSA-N
MW345.44 g/mol
LogP1.65
Rot. Bonds6

About N-methyl-4-[[methyl-[(2S)-3-methyl-2-(2-oxopyrrolidin-1-yl)butanoyl]amino]methyl]benzamide

N-methyl-4-[[methyl-[(2S)-3-methyl-2-(2-oxopyrrolidin-1-yl)butanoyl]amino]methyl]benzamide (PubChem CID 94821305) has the molecular formula C19H27N3O3 and a molecular weight of 345.44 g/mol. Its IUPAC name is N-methyl-4-[[methyl-[(2S)-3-methyl-2-(2-oxopyrrolidin-1-yl)butanoyl]amino]methyl]benzamide.

Molecular Properties

Compound NameN-methyl-4-[[methyl-[(2S)-3-methyl-2-(2-oxopyrrolidin-1-yl)butanoyl]amino]methyl]benzamide
PubChem CID94821305
Molecular FormulaC19H27N3O3
Molecular Weight345.44 g/mol
Exact Mass345.21
IUPAC NameN-methyl-4-[[methyl-[(2S)-3-methyl-2-(2-oxopyrrolidin-1-yl)butanoyl]amino]methyl]benzamide
SMILESCNC(=O)c1ccc(CN(C)C(=O)[C@H](C(C)C)N2CCCC2=O)cc1
InChIInChI=1S/C19H27N3O3/c1-13(2)17(22-11-5-6-16(22)23)19(25)21(4)12-14-7-9-15(10-8-14)18(24)20-3/h7-10,13,17H,5-6,11-12H2,1-4H3,(H,20,24)/t17-/m0/s1
InChIKeyDOIAEMVMTXCZFI-KRWDZBQOSA-N
XLogP1.65
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-methyl-4-[[methyl-[(2S)-3-methyl-2-(2-oxopyrrolidin-1-yl)butanoyl]amino]methyl]benzamide with MolForge

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Related Compounds

4-[[2-aminopropanoyl(methyl)amino]methyl]-N-methylbenzamide
CID 54871424
4-[[2-bromopropanoyl(methyl)amino]methyl]-N-methylbenzamide
CID 114014417
N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-2-(2-oxopyrrolidin-1-yl)benzamide
CID 8968015
N-(3-amino-4-methylpentyl)-N,3-dimethyl-2-(2-oxopyrrolidin-1-yl)butanamide
CID 119660737
(2S)-N-[2-(3-chloroanilino)-2-oxoethyl]-N,3-dimethyl-2-(2-oxopyrrolidin-1-yl)butanamide
CID 52813858
N-methyl-4-[[methyl-[(2S)-2-(1-methylidene-3-oxoisoindol-2-yl)propanoyl]amino]methyl]benzamide
CID 32881882
N-methyl-4-[[methyl-[(1R,2R)-2-methylcyclopropanecarbonyl]amino]methyl]benzamide
CID 8964688
4-[[(1-hydroxycyclopentanecarbonyl)-methylamino]methyl]-N-methylbenzamide
CID 110907310
N-methyl-4-[[methyl-[(2R)-2-phenoxybutanoyl]amino]methyl]benzamide
CID 8965470
3-methyl-2-(2-oxopyrrolidin-1-yl)-N-(2-phenylethyl)butanamide
CID 51100996
(2R)-N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-5-oxopyrrolidine-2-carboxamide
CID 8966947
2-chloro-N-[(2S)-1-[methyl-[[4-(methylcarbamoyl)phenyl]methyl]amino]-1-oxopropan-2-yl]benzamide
CID 8965792

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[[methyl-[(2S)-3-methyl-2-(2-oxopyrrolidin-1-yl)butanoyl]amino]methyl]benzamide?
The IUPAC name of N-methyl-4-[[methyl-[(2S)-3-methyl-2-(2-oxopyrrolidin-1-yl)butanoyl]amino]methyl]benzamide (CID 94821305) is N-methyl-4-[[methyl-[(2S)-3-methyl-2-(2-oxopyrrolidin-1-yl)butanoyl]amino]methyl]benzamide.
What is the SMILES notation for N-methyl-4-[[methyl-[(2S)-3-methyl-2-(2-oxopyrrolidin-1-yl)butanoyl]amino]methyl]benzamide?
The canonical SMILES for N-methyl-4-[[methyl-[(2S)-3-methyl-2-(2-oxopyrrolidin-1-yl)butanoyl]amino]methyl]benzamide is CNC(=O)c1ccc(CN(C)C(=O)[C@H](C(C)C)N2CCCC2=O)cc1.
What is the InChIKey of N-methyl-4-[[methyl-[(2S)-3-methyl-2-(2-oxopyrrolidin-1-yl)butanoyl]amino]methyl]benzamide?
The InChIKey is DOIAEMVMTXCZFI-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H27N3O3/c1-13(2)17(22-11-5-6-16(22)23)19(25)21(4)12-14-7-9-15(10-8-14)18(24)20-3/h7-10,13,17H,5-6,11-12H2,1-4H3,(H,20,24)/t17-/m0/s1.
What are the key properties of N-methyl-4-[[methyl-[(2S)-3-methyl-2-(2-oxopyrrolidin-1-yl)butanoyl]amino]methyl]benzamide?
N-methyl-4-[[methyl-[(2S)-3-methyl-2-(2-oxopyrrolidin-1-yl)butanoyl]amino]methyl]benzamide has a molecular weight of 345.44 g/mol, XLogP of 1.65, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[[methyl-[(2S)-3-methyl-2-(2-oxopyrrolidin-1-yl)butanoyl]amino]methyl]benzamide is sourced from PubChem (CID 94821305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).