4-ethyl-N-[(2S)-4-methyl-1-oxo-1-pyrrolidin-1-ylpentan-2-yl]benzamide

C19H28N2O2 — CID 146680933

IUPAC4-ethyl-N-[(2S)-4-methyl-1-oxo-1-pyrrolidin-1-ylpentan-2-yl]benzamide
SMILESCCc1ccc(C(=O)N[C@@H](CC(C)C)C(=O)N2CCCC2)cc1
InChIInChI=1S/C19H28N2O2/c1-4-15-7-9-16(10-8-15)18(22)20-17(13-14(2)3)19(23)21-11-5-6-12-21/h7-10,14,17H,4-6,11-13H2,1-3H3,(H,20,22)/t17-/m0/s1
InChIKeyBNDMVFTVBINJLL-KRWDZBQOSA-N
MW316.45 g/mol
LogP3.02
Rot. Bonds6

About 4-ethyl-N-[(2S)-4-methyl-1-oxo-1-pyrrolidin-1-ylpentan-2-yl]benzamide

4-ethyl-N-[(2S)-4-methyl-1-oxo-1-pyrrolidin-1-ylpentan-2-yl]benzamide (PubChem CID 146680933) has the molecular formula C19H28N2O2 and a molecular weight of 316.45 g/mol. Its IUPAC name is 4-ethyl-N-[(2S)-4-methyl-1-oxo-1-pyrrolidin-1-ylpentan-2-yl]benzamide.

Molecular Properties

Compound Name4-ethyl-N-[(2S)-4-methyl-1-oxo-1-pyrrolidin-1-ylpentan-2-yl]benzamide
PubChem CID146680933
Molecular FormulaC19H28N2O2
Molecular Weight316.45 g/mol
Exact Mass316.22
IUPAC Name4-ethyl-N-[(2S)-4-methyl-1-oxo-1-pyrrolidin-1-ylpentan-2-yl]benzamide
SMILESCCc1ccc(C(=O)N[C@@H](CC(C)C)C(=O)N2CCCC2)cc1
InChIInChI=1S/C19H28N2O2/c1-4-15-7-9-16(10-8-15)18(22)20-17(13-14(2)3)19(23)21-11-5-6-12-21/h7-10,14,17H,4-6,11-13H2,1-3H3,(H,20,22)/t17-/m0/s1
InChIKeyBNDMVFTVBINJLL-KRWDZBQOSA-N
XLogP3.02
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.45
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-methyl-N-[(2S)-4-methyl-1-oxo-1-pyrrolidin-1-ylpentan-2-yl]benzamide
CID 110351340
N-[(2S)-4-methyl-1-oxo-1-pyrrolidin-1-ylpentan-2-yl]-4-(trifluoromethyl)benzamide
CID 110351388
(2S)-2-[(4-ethylbenzoyl)amino]-4-methylpentanoic acid
CID 971688
4-(dimethylsulfamoyl)-N-[(2S)-4-methyl-1-oxo-1-pyrrolidin-1-ylpentan-2-yl]benzamide
CID 110351370
4-chloro-N-[4-methyl-1-oxo-1-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]pentan-2-yl]benzamide
CID 55469448
3,5-dimethoxy-N-[(2S)-4-methyl-1-oxo-1-pyrrolidin-1-ylpentan-2-yl]benzamide
CID 110351350
N-[(2S)-4-methyl-1-oxo-1-piperidin-1-ylpentan-2-yl]pyridine-3-carboxamide
CID 110351611
2-(4-fluorophenyl)-N-[(2S)-4-methyl-1-oxo-1-pyrrolidin-1-ylpentan-2-yl]acetamide
CID 110351359
N-[(2S)-4-methyl-1-oxo-1-pyrrolidin-1-ylpentan-2-yl]-2-phenylacetamide
CID 110351358
N-[(2S)-4-methyl-1-oxo-1-piperidin-1-ylpentan-2-yl]-3-phenylpropanamide
CID 110351597
3-fluoro-N-[(2S)-4-methyl-1-(4-methylpiperazin-1-yl)-1-oxopentan-2-yl]benzamide
CID 110285662
N-(1-oxo-3-phenyl-1-pyrrolidin-1-ylpropan-2-yl)-4-pentylbenzamide
CID 42703090

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-[(2S)-4-methyl-1-oxo-1-pyrrolidin-1-ylpentan-2-yl]benzamide?
The IUPAC name of 4-ethyl-N-[(2S)-4-methyl-1-oxo-1-pyrrolidin-1-ylpentan-2-yl]benzamide (CID 146680933) is 4-ethyl-N-[(2S)-4-methyl-1-oxo-1-pyrrolidin-1-ylpentan-2-yl]benzamide.
What is the SMILES notation for 4-ethyl-N-[(2S)-4-methyl-1-oxo-1-pyrrolidin-1-ylpentan-2-yl]benzamide?
The canonical SMILES for 4-ethyl-N-[(2S)-4-methyl-1-oxo-1-pyrrolidin-1-ylpentan-2-yl]benzamide is CCc1ccc(C(=O)N[C@@H](CC(C)C)C(=O)N2CCCC2)cc1.
What is the InChIKey of 4-ethyl-N-[(2S)-4-methyl-1-oxo-1-pyrrolidin-1-ylpentan-2-yl]benzamide?
The InChIKey is BNDMVFTVBINJLL-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H28N2O2/c1-4-15-7-9-16(10-8-15)18(22)20-17(13-14(2)3)19(23)21-11-5-6-12-21/h7-10,14,17H,4-6,11-13H2,1-3H3,(H,20,22)/t17-/m0/s1.
What are the key properties of 4-ethyl-N-[(2S)-4-methyl-1-oxo-1-pyrrolidin-1-ylpentan-2-yl]benzamide?
4-ethyl-N-[(2S)-4-methyl-1-oxo-1-pyrrolidin-1-ylpentan-2-yl]benzamide has a molecular weight of 316.45 g/mol, XLogP of 3.02, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-[(2S)-4-methyl-1-oxo-1-pyrrolidin-1-ylpentan-2-yl]benzamide is sourced from PubChem (CID 146680933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).