N-[(Z)-octadec-9-enyl]-3-pyrrolidin-1-ylpropanamide

C25H48N2O — CID 165361675

IUPACN-[(Z)-octadec-9-enyl]-3-pyrrolidin-1-ylpropanamide
SMILESCCCCCCCC/C=C\CCCCCCCCNC(=O)CCN1CCCC1
InChIInChI=1S/C25H48N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-26-25(28)20-24-27-22-18-19-23-27/h9-10H,2-8,11-24H2,1H3,(H,26,28)/b10-9-
InChIKeyYIWZDKNDQDPCHI-KTKRTIGZSA-N
MW392.67 g/mol
LogP6.63
Rot. Bonds19

About N-[(Z)-octadec-9-enyl]-3-pyrrolidin-1-ylpropanamide

N-[(Z)-octadec-9-enyl]-3-pyrrolidin-1-ylpropanamide (PubChem CID 165361675) has the molecular formula C25H48N2O and a molecular weight of 392.67 g/mol. Its IUPAC name is N-[(Z)-octadec-9-enyl]-3-pyrrolidin-1-ylpropanamide.

Molecular Properties

Compound NameN-[(Z)-octadec-9-enyl]-3-pyrrolidin-1-ylpropanamide
PubChem CID165361675
Molecular FormulaC25H48N2O
Molecular Weight392.67 g/mol
Exact Mass392.38
IUPAC NameN-[(Z)-octadec-9-enyl]-3-pyrrolidin-1-ylpropanamide
SMILESCCCCCCCC/C=C\CCCCCCCCNC(=O)CCN1CCCC1
InChIInChI=1S/C25H48N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-26-25(28)20-24-27-22-18-19-23-27/h9-10H,2-8,11-24H2,1H3,(H,26,28)/b10-9-
InChIKeyYIWZDKNDQDPCHI-KTKRTIGZSA-N
XLogP6.63
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds19
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.67
LogP ≤ 56.63
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'}

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Related Compounds

N-tetradecyloctadec-9-enamide
CID 90860718
(E)-N-[6-[[(E)-octadec-9-enoyl]amino]hexyl]octadec-9-enamide
CID 6296113
N-docos-13-enylhexadecanamide
CID 54193549
(Z)-N-tetradecyldocos-13-enamide
CID 142707286
N-hexyloctadec-9-enamide
CID 57210632
(Z)-N-hexadecyloctadec-9-enamide
CID 87108335
(E)-N-pentadecyloctadec-9-enamide
CID 166963229
(Z)-N-dodecyldocos-13-enamide
CID 87733981
N-[18-[2-(octadec-9-enoylamino)ethylamino]-18-oxooctadec-9-enyl]docos-13-enamide
CID 123913182
4-bromo-N-octadec-9-enylbutanamide
CID 175604504
(Z)-N-[3-[[(Z)-octadec-9-enoyl]amino]propyl]octadec-9-enamide
CID 87571008
(Z)-N-butyloctadec-9-enamide
CID 6436496

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-octadec-9-enyl]-3-pyrrolidin-1-ylpropanamide?
The IUPAC name of N-[(Z)-octadec-9-enyl]-3-pyrrolidin-1-ylpropanamide (CID 165361675) is N-[(Z)-octadec-9-enyl]-3-pyrrolidin-1-ylpropanamide.
What is the SMILES notation for N-[(Z)-octadec-9-enyl]-3-pyrrolidin-1-ylpropanamide?
The canonical SMILES for N-[(Z)-octadec-9-enyl]-3-pyrrolidin-1-ylpropanamide is CCCCCCCC/C=C\CCCCCCCCNC(=O)CCN1CCCC1.
What is the InChIKey of N-[(Z)-octadec-9-enyl]-3-pyrrolidin-1-ylpropanamide?
The InChIKey is YIWZDKNDQDPCHI-KTKRTIGZSA-N. The full InChI is InChI=1S/C25H48N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-26-25(28)20-24-27-22-18-19-23-27/h9-10H,2-8,11-24H2,1H3,(H,26,28)/b10-9-.
What are the key properties of N-[(Z)-octadec-9-enyl]-3-pyrrolidin-1-ylpropanamide?
N-[(Z)-octadec-9-enyl]-3-pyrrolidin-1-ylpropanamide has a molecular weight of 392.67 g/mol, XLogP of 6.63, 19 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-octadec-9-enyl]-3-pyrrolidin-1-ylpropanamide is sourced from PubChem (CID 165361675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).