(Z)-N-[(2S)-1-oxo-3-phenyl-1-pyrrolidin-1-ylpropan-2-yl]octadec-9-enamide

C31H50N2O2 — CID 14500780

IUPAC(Z)-N-[(2S)-1-oxo-3-phenyl-1-pyrrolidin-1-ylpropan-2-yl]octadec-9-enamide
SMILESCCCCCCCC/C=C\CCCCCCCC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCCC1
InChIInChI=1S/C31H50N2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-24-30(34)32-29(27-28-22-17-16-18-23-28)31(35)33-25-20-21-26-33/h9-10,16-18,22-23,29H,2-8,11-15,19-21,24-27H2,1H3,(H,32,34)/b10-9-/t29-/m0/s1
InChIKeySKBIVJWAZSESMC-FGCCJYTBSA-N
MW482.75 g/mol
LogP7.37
Rot. Bonds19

About (Z)-N-[(2S)-1-oxo-3-phenyl-1-pyrrolidin-1-ylpropan-2-yl]octadec-9-enamide

(Z)-N-[(2S)-1-oxo-3-phenyl-1-pyrrolidin-1-ylpropan-2-yl]octadec-9-enamide (PubChem CID 14500780) has the molecular formula C31H50N2O2 and a molecular weight of 482.75 g/mol. Its IUPAC name is (Z)-N-[(2S)-1-oxo-3-phenyl-1-pyrrolidin-1-ylpropan-2-yl]octadec-9-enamide.

Molecular Properties

Compound Name(Z)-N-[(2S)-1-oxo-3-phenyl-1-pyrrolidin-1-ylpropan-2-yl]octadec-9-enamide
PubChem CID14500780
Molecular FormulaC31H50N2O2
Molecular Weight482.75 g/mol
Exact Mass482.39
IUPAC Name(Z)-N-[(2S)-1-oxo-3-phenyl-1-pyrrolidin-1-ylpropan-2-yl]octadec-9-enamide
SMILESCCCCCCCC/C=C\CCCCCCCC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCCC1
InChIInChI=1S/C31H50N2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-24-30(34)32-29(27-28-22-17-16-18-23-28)31(35)33-25-20-21-26-33/h9-10,16-18,22-23,29H,2-8,11-15,19-21,24-27H2,1H3,(H,32,34)/b10-9-/t29-/m0/s1
InChIKeySKBIVJWAZSESMC-FGCCJYTBSA-N
XLogP7.37
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds19
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.75
LogP ≤ 57.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (Z)-N-[(2S)-1-oxo-3-phenyl-1-pyrrolidin-1-ylpropan-2-yl]octadec-9-enamide with MolForge

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Related Compounds

N-[(2S)-1-oxo-3-phenyl-1-piperidin-1-ylpropan-2-yl]butanamide
CID 110347349
N-benzyl-4-[2-(octanoylamino)-3-phenylpropanoyl]piperazine-1-carboxamide
CID 4006835
5-(4-methylphenyl)-N-(1-oxo-3-phenyl-1-pyrrolidin-1-ylpropan-2-yl)pentanamide
CID 60611406
N-[(2S)-1-oxo-3-phenyl-1-piperidin-1-ylpropan-2-yl]-3-phenylpropanamide
CID 110347374
3-phenyl-2-(undecanoylamino)propanoic acid
CID 71318408
2-(dodecanoylamino)-3-phenylpropanoic acid
CID 14509918
(2R)-2-(dodecanoylamino)-3-phenylpropanoic acid
CID 10936951
(2S)-2-(nonadecanoylamino)-3-phenylpropanoic acid
CID 171116992
N-(1-oxo-3-phenyl-1-pyrrolidin-1-ylpropan-2-yl)-4-pentylbenzamide
CID 42703090
CID 160842704
CID 160842704
N-(1-oxo-3-phenyl-1-piperidin-1-ylpropan-2-yl)-2-phenylacetamide
CID 42696444
N-[1-(3-methyl-4-octanoylpiperazin-1-yl)-1-oxo-3-phenylpropan-2-yl]pentanamide
CID 42707480

Frequently Asked Questions

What is the IUPAC name of (Z)-N-[(2S)-1-oxo-3-phenyl-1-pyrrolidin-1-ylpropan-2-yl]octadec-9-enamide?
The IUPAC name of (Z)-N-[(2S)-1-oxo-3-phenyl-1-pyrrolidin-1-ylpropan-2-yl]octadec-9-enamide (CID 14500780) is (Z)-N-[(2S)-1-oxo-3-phenyl-1-pyrrolidin-1-ylpropan-2-yl]octadec-9-enamide.
What is the SMILES notation for (Z)-N-[(2S)-1-oxo-3-phenyl-1-pyrrolidin-1-ylpropan-2-yl]octadec-9-enamide?
The canonical SMILES for (Z)-N-[(2S)-1-oxo-3-phenyl-1-pyrrolidin-1-ylpropan-2-yl]octadec-9-enamide is CCCCCCCC/C=C\CCCCCCCC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCCC1.
What is the InChIKey of (Z)-N-[(2S)-1-oxo-3-phenyl-1-pyrrolidin-1-ylpropan-2-yl]octadec-9-enamide?
The InChIKey is SKBIVJWAZSESMC-FGCCJYTBSA-N. The full InChI is InChI=1S/C31H50N2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-24-30(34)32-29(27-28-22-17-16-18-23-28)31(35)33-25-20-21-26-33/h9-10,16-18,22-23,29H,2-8,11-15,19-21,24-27H2,1H3,(H,32,34)/b10-9-/t29-/m0/s1.
What are the key properties of (Z)-N-[(2S)-1-oxo-3-phenyl-1-pyrrolidin-1-ylpropan-2-yl]octadec-9-enamide?
(Z)-N-[(2S)-1-oxo-3-phenyl-1-pyrrolidin-1-ylpropan-2-yl]octadec-9-enamide has a molecular weight of 482.75 g/mol, XLogP of 7.37, 19 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-[(2S)-1-oxo-3-phenyl-1-pyrrolidin-1-ylpropan-2-yl]octadec-9-enamide is sourced from PubChem (CID 14500780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).