3,5-dimethoxy-N-[(2S)-4-methyl-1-oxo-1-pyrrolidin-1-ylpentan-2-yl]benzamide

C19H28N2O4 — CID 110351350

IUPAC3,5-dimethoxy-N-[(2S)-4-methyl-1-oxo-1-pyrrolidin-1-ylpentan-2-yl]benzamide
SMILESCOc1cc(OC)cc(C(=O)N[C@@H](CC(C)C)C(=O)N2CCCC2)c1
InChIInChI=1S/C19H28N2O4/c1-13(2)9-17(19(23)21-7-5-6-8-21)20-18(22)14-10-15(24-3)12-16(11-14)25-4/h10-13,17H,5-9H2,1-4H3,(H,20,22)/t17-/m0/s1
InChIKeyBQFAUSCGXCTGLM-KRWDZBQOSA-N
MW348.44 g/mol
LogP2.47
Rot. Bonds7

About 3,5-dimethoxy-N-[(2S)-4-methyl-1-oxo-1-pyrrolidin-1-ylpentan-2-yl]benzamide

3,5-dimethoxy-N-[(2S)-4-methyl-1-oxo-1-pyrrolidin-1-ylpentan-2-yl]benzamide (PubChem CID 110351350) has the molecular formula C19H28N2O4 and a molecular weight of 348.44 g/mol. Its IUPAC name is 3,5-dimethoxy-N-[(2S)-4-methyl-1-oxo-1-pyrrolidin-1-ylpentan-2-yl]benzamide.

Molecular Properties

Compound Name3,5-dimethoxy-N-[(2S)-4-methyl-1-oxo-1-pyrrolidin-1-ylpentan-2-yl]benzamide
PubChem CID110351350
Molecular FormulaC19H28N2O4
Molecular Weight348.44 g/mol
Exact Mass348.20
IUPAC Name3,5-dimethoxy-N-[(2S)-4-methyl-1-oxo-1-pyrrolidin-1-ylpentan-2-yl]benzamide
SMILESCOc1cc(OC)cc(C(=O)N[C@@H](CC(C)C)C(=O)N2CCCC2)c1
InChIInChI=1S/C19H28N2O4/c1-13(2)9-17(19(23)21-7-5-6-8-21)20-18(22)14-10-15(24-3)12-16(11-14)25-4/h10-13,17H,5-9H2,1-4H3,(H,20,22)/t17-/m0/s1
InChIKeyBQFAUSCGXCTGLM-KRWDZBQOSA-N
XLogP2.47
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.44
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-N-[(2S)-4-methyl-1-oxo-1-pyrrolidin-1-ylpentan-2-yl]benzamide
CID 110351340
4-ethyl-N-[(2S)-4-methyl-1-oxo-1-pyrrolidin-1-ylpentan-2-yl]benzamide
CID 146680933
N-[(2S)-4-methyl-1-oxo-1-pyrrolidin-1-ylpentan-2-yl]-4-(trifluoromethyl)benzamide
CID 110351388
N-[(2S)-4-methyl-1-oxo-1-pyrrolidin-1-ylpentan-2-yl]-2-phenylacetamide
CID 110351358
3,4-dimethoxy-N-[(2S)-4-methyl-1-(4-methylpiperazin-1-yl)-1-oxopentan-2-yl]benzamide
CID 110285675
N-[(2S)-4-methyl-1-oxo-1-pyrrolidin-1-ylpentan-2-yl]-2-phenoxyacetamide
CID 110351364
N-[(2S)-4-methyl-1-oxo-1-piperidin-1-ylpentan-2-yl]pyridine-3-carboxamide
CID 110351611
4-(dimethylsulfamoyl)-N-[(2S)-4-methyl-1-oxo-1-pyrrolidin-1-ylpentan-2-yl]benzamide
CID 110351370
3-methoxy-N-[(2S)-1-oxo-3-phenyl-1-piperidin-1-ylpropan-2-yl]benzamide
CID 110347364
N-[2-(azepan-1-yl)-2-oxoethyl]-3,5-dimethoxybenzamide
CID 26500774
2-(4-fluorophenyl)-N-[(2S)-4-methyl-1-oxo-1-pyrrolidin-1-ylpentan-2-yl]acetamide
CID 110351359
N-[1-[4-(3-methoxybenzoyl)piperazin-1-yl]-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide
CID 46570379

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethoxy-N-[(2S)-4-methyl-1-oxo-1-pyrrolidin-1-ylpentan-2-yl]benzamide?
The IUPAC name of 3,5-dimethoxy-N-[(2S)-4-methyl-1-oxo-1-pyrrolidin-1-ylpentan-2-yl]benzamide (CID 110351350) is 3,5-dimethoxy-N-[(2S)-4-methyl-1-oxo-1-pyrrolidin-1-ylpentan-2-yl]benzamide.
What is the SMILES notation for 3,5-dimethoxy-N-[(2S)-4-methyl-1-oxo-1-pyrrolidin-1-ylpentan-2-yl]benzamide?
The canonical SMILES for 3,5-dimethoxy-N-[(2S)-4-methyl-1-oxo-1-pyrrolidin-1-ylpentan-2-yl]benzamide is COc1cc(OC)cc(C(=O)N[C@@H](CC(C)C)C(=O)N2CCCC2)c1.
What is the InChIKey of 3,5-dimethoxy-N-[(2S)-4-methyl-1-oxo-1-pyrrolidin-1-ylpentan-2-yl]benzamide?
The InChIKey is BQFAUSCGXCTGLM-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H28N2O4/c1-13(2)9-17(19(23)21-7-5-6-8-21)20-18(22)14-10-15(24-3)12-16(11-14)25-4/h10-13,17H,5-9H2,1-4H3,(H,20,22)/t17-/m0/s1.
What are the key properties of 3,5-dimethoxy-N-[(2S)-4-methyl-1-oxo-1-pyrrolidin-1-ylpentan-2-yl]benzamide?
3,5-dimethoxy-N-[(2S)-4-methyl-1-oxo-1-pyrrolidin-1-ylpentan-2-yl]benzamide has a molecular weight of 348.44 g/mol, XLogP of 2.47, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethoxy-N-[(2S)-4-methyl-1-oxo-1-pyrrolidin-1-ylpentan-2-yl]benzamide is sourced from PubChem (CID 110351350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).