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

C18H26N2O2 — CID 110351358

IUPACN-[(2S)-4-methyl-1-oxo-1-pyrrolidin-1-ylpentan-2-yl]-2-phenylacetamide
SMILESCC(C)C[C@H](NC(=O)Cc1ccccc1)C(=O)N1CCCC1
InChIInChI=1S/C18H26N2O2/c1-14(2)12-16(18(22)20-10-6-7-11-20)19-17(21)13-15-8-4-3-5-9-15/h3-5,8-9,14,16H,6-7,10-13H2,1-2H3,(H,19,21)/t16-/m0/s1
InChIKeyCTYYXULMXWETDR-INIZCTEOSA-N
MW302.42 g/mol
LogP2.38
Rot. Bonds6

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

N-[(2S)-4-methyl-1-oxo-1-pyrrolidin-1-ylpentan-2-yl]-2-phenylacetamide (PubChem CID 110351358) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is N-[(2S)-4-methyl-1-oxo-1-pyrrolidin-1-ylpentan-2-yl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[(2S)-4-methyl-1-oxo-1-pyrrolidin-1-ylpentan-2-yl]-2-phenylacetamide
PubChem CID110351358
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC NameN-[(2S)-4-methyl-1-oxo-1-pyrrolidin-1-ylpentan-2-yl]-2-phenylacetamide
SMILESCC(C)C[C@H](NC(=O)Cc1ccccc1)C(=O)N1CCCC1
InChIInChI=1S/C18H26N2O2/c1-14(2)12-16(18(22)20-10-6-7-11-20)19-17(21)13-15-8-4-3-5-9-15/h3-5,8-9,14,16H,6-7,10-13H2,1-2H3,(H,19,21)/t16-/m0/s1
InChIKeyCTYYXULMXWETDR-INIZCTEOSA-N
XLogP2.38
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2S)-4-methyl-1-oxo-1-piperidin-1-ylpentan-2-yl]-3-phenylpropanamide
CID 110351597
2-(4-fluorophenyl)-N-[(2S)-4-methyl-1-oxo-1-pyrrolidin-1-ylpentan-2-yl]acetamide
CID 110351359
N-(1-oxo-3-phenyl-1-piperidin-1-ylpropan-2-yl)-2-phenylacetamide
CID 42696444
N-[(2S)-4-methyl-1-oxo-1-pyrrolidin-1-ylpentan-2-yl]-2-phenoxyacetamide
CID 110351364
N-[(2S)-1-(azepan-1-yl)-3-methyl-1-oxobutan-2-yl]-2-phenylacetamide
CID 9036546
(2S)-4-methyl-2-[[(2S)-4-methyl-2-[(2-phenylacetyl)amino]pentanoyl]amino]pentanoic acid
CID 40551448
3-(1,3-dioxoisoindol-2-yl)-N-[(2S)-4-methyl-1-oxo-1-pyrrolidin-1-ylpentan-2-yl]propanamide
CID 110351376
2-(1H-indol-3-yl)-N-(1-oxo-3-phenyl-1-pyrrolidin-1-ylpropan-2-yl)acetamide
CID 47090271
4-ethyl-N-[(2S)-4-methyl-1-oxo-1-pyrrolidin-1-ylpentan-2-yl]benzamide
CID 146680933
N-[1-(4-benzhydrylpiperazin-1-yl)-4-methyl-1-oxopentan-2-yl]azepane-1-carboxamide
CID 23388414
N-[(2S)-1-oxo-1-(1,4-thiazepan-4-yl)pentan-2-yl]-2-phenylacetamide
CID 95171633
2-amino-N-(1-oxo-3-phenyl-1-pyrrolidin-1-ylpropan-2-yl)acetamide
CID 119310977

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-4-methyl-1-oxo-1-pyrrolidin-1-ylpentan-2-yl]-2-phenylacetamide?
The IUPAC name of N-[(2S)-4-methyl-1-oxo-1-pyrrolidin-1-ylpentan-2-yl]-2-phenylacetamide (CID 110351358) is N-[(2S)-4-methyl-1-oxo-1-pyrrolidin-1-ylpentan-2-yl]-2-phenylacetamide.
What is the SMILES notation for N-[(2S)-4-methyl-1-oxo-1-pyrrolidin-1-ylpentan-2-yl]-2-phenylacetamide?
The canonical SMILES for N-[(2S)-4-methyl-1-oxo-1-pyrrolidin-1-ylpentan-2-yl]-2-phenylacetamide is CC(C)C[C@H](NC(=O)Cc1ccccc1)C(=O)N1CCCC1.
What is the InChIKey of N-[(2S)-4-methyl-1-oxo-1-pyrrolidin-1-ylpentan-2-yl]-2-phenylacetamide?
The InChIKey is CTYYXULMXWETDR-INIZCTEOSA-N. The full InChI is InChI=1S/C18H26N2O2/c1-14(2)12-16(18(22)20-10-6-7-11-20)19-17(21)13-15-8-4-3-5-9-15/h3-5,8-9,14,16H,6-7,10-13H2,1-2H3,(H,19,21)/t16-/m0/s1.
What are the key properties of N-[(2S)-4-methyl-1-oxo-1-pyrrolidin-1-ylpentan-2-yl]-2-phenylacetamide?
N-[(2S)-4-methyl-1-oxo-1-pyrrolidin-1-ylpentan-2-yl]-2-phenylacetamide has a molecular weight of 302.42 g/mol, XLogP of 2.38, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-4-methyl-1-oxo-1-pyrrolidin-1-ylpentan-2-yl]-2-phenylacetamide is sourced from PubChem (CID 110351358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).