(Z)-N-(4-aminobutyl)pentadec-9-enamide

C19H38N2O — CID 171117158

IUPAC(Z)-N-(4-aminobutyl)pentadec-9-enamide
SMILESCCCCC/C=C\CCCCCCCC(=O)NCCCCN
InChIInChI=1S/C19H38N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-19(22)21-18-15-14-17-20/h6-7H,2-5,8-18,20H2,1H3,(H,21,22)/b7-6-
InChIKeyFQSIYSKBKBLURL-SREVYHEPSA-N
MW310.53 g/mol
LogP4.71
Rot. Bonds16

About (Z)-N-(4-aminobutyl)pentadec-9-enamide

(Z)-N-(4-aminobutyl)pentadec-9-enamide (PubChem CID 171117158) has the molecular formula C19H38N2O and a molecular weight of 310.53 g/mol. Its IUPAC name is (Z)-N-(4-aminobutyl)pentadec-9-enamide.

Molecular Properties

Compound Name(Z)-N-(4-aminobutyl)pentadec-9-enamide
PubChem CID171117158
Molecular FormulaC19H38N2O
Molecular Weight310.53 g/mol
Exact Mass310.30
IUPAC Name(Z)-N-(4-aminobutyl)pentadec-9-enamide
SMILESCCCCC/C=C\CCCCCCCC(=O)NCCCCN
InChIInChI=1S/C19H38N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-19(22)21-18-15-14-17-20/h6-7H,2-5,8-18,20H2,1H3,(H,21,22)/b7-6-
InChIKeyFQSIYSKBKBLURL-SREVYHEPSA-N
XLogP4.71
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.53
LogP ≤ 54.71
H-Bond Donors ≤ 52
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

(E)-N-[3-(4-aminobutylamino)propyl]octadec-9-enamide
CID 6366527
(E)-N-pentadecyloctadec-9-enamide
CID 166963229
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
N-(4-aminobutyl)tetracosanamide
CID 171117181
(Z)-N-hexadecyloctadec-9-enamide
CID 87108335
N-(6-aminohexyl)dodecanamide
CID 13030555
(Z)-N-dodecyldocos-13-enamide
CID 87733981
N-(9-aminononyl)nonanamide
CID 154091260

Frequently Asked Questions

What is the IUPAC name of (Z)-N-(4-aminobutyl)pentadec-9-enamide?
The IUPAC name of (Z)-N-(4-aminobutyl)pentadec-9-enamide (CID 171117158) is (Z)-N-(4-aminobutyl)pentadec-9-enamide.
What is the SMILES notation for (Z)-N-(4-aminobutyl)pentadec-9-enamide?
The canonical SMILES for (Z)-N-(4-aminobutyl)pentadec-9-enamide is CCCCC/C=C\CCCCCCCC(=O)NCCCCN.
What is the InChIKey of (Z)-N-(4-aminobutyl)pentadec-9-enamide?
The InChIKey is FQSIYSKBKBLURL-SREVYHEPSA-N. The full InChI is InChI=1S/C19H38N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-19(22)21-18-15-14-17-20/h6-7H,2-5,8-18,20H2,1H3,(H,21,22)/b7-6-.
What are the key properties of (Z)-N-(4-aminobutyl)pentadec-9-enamide?
(Z)-N-(4-aminobutyl)pentadec-9-enamide has a molecular weight of 310.53 g/mol, XLogP of 4.71, 16 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-(4-aminobutyl)pentadec-9-enamide is sourced from PubChem (CID 171117158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).