N-[(Z)-15-hydroxypentadec-5-enyl]-2-oxobutanamide

C19H35NO3 — CID 159151259

IUPACN-[(Z)-15-hydroxypentadec-5-enyl]-2-oxobutanamide
SMILESCCC(=O)C(=O)NCCCC/C=C\CCCCCCCCCO
InChIInChI=1S/C19H35NO3/c1-2-18(22)19(23)20-16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-21/h6,8,21H,2-5,7,9-17H2,1H3,(H,20,23)/b8-6-
InChIKeyIQSGKVQDFKPTLH-VURMDHGXSA-N
MW325.49 g/mol
LogP3.92
Rot. Bonds16

About N-[(Z)-15-hydroxypentadec-5-enyl]-2-oxobutanamide

N-[(Z)-15-hydroxypentadec-5-enyl]-2-oxobutanamide (PubChem CID 159151259) has the molecular formula C19H35NO3 and a molecular weight of 325.49 g/mol. Its IUPAC name is N-[(Z)-15-hydroxypentadec-5-enyl]-2-oxobutanamide.

Molecular Properties

Compound NameN-[(Z)-15-hydroxypentadec-5-enyl]-2-oxobutanamide
PubChem CID159151259
Molecular FormulaC19H35NO3
Molecular Weight325.49 g/mol
Exact Mass325.26
IUPAC NameN-[(Z)-15-hydroxypentadec-5-enyl]-2-oxobutanamide
SMILESCCC(=O)C(=O)NCCCC/C=C\CCCCCCCCCO
InChIInChI=1S/C19H35NO3/c1-2-18(22)19(23)20-16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-21/h6,8,21H,2-5,7,9-17H2,1H3,(H,20,23)/b8-6-
InChIKeyIQSGKVQDFKPTLH-VURMDHGXSA-N
XLogP3.92
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.49
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(Z)-15-bromopentadec-5-enyl]-2-oxobutanamide;N-[(Z)-15-hydroxypentadec-5-enyl]-2-oxobutanamide;phosphanyl(tritio)phosphane;tetrabromomethane
CID 159540574
2-oxo-N-[3-(2-oxobutanoylamino)propyl]butanamide
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N-tetradecyloctadec-9-enamide
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CID 6296113
N-docos-13-enylhexadecanamide
CID 54193549
(Z)-N-tetradecyldocos-13-enamide
CID 142707286
N-hexyloctadec-9-enamide
CID 57210632
(E)-N-pentadecyloctadec-9-enamide
CID 166963229
(Z)-N-hexadecyloctadec-9-enamide
CID 87108335
(Z)-N-dodecyldocos-13-enamide
CID 87733981
N,N'-bis[(E)-undec-7-enyl]hexanediamide
CID 101279980

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-15-hydroxypentadec-5-enyl]-2-oxobutanamide?
The IUPAC name of N-[(Z)-15-hydroxypentadec-5-enyl]-2-oxobutanamide (CID 159151259) is N-[(Z)-15-hydroxypentadec-5-enyl]-2-oxobutanamide.
What is the SMILES notation for N-[(Z)-15-hydroxypentadec-5-enyl]-2-oxobutanamide?
The canonical SMILES for N-[(Z)-15-hydroxypentadec-5-enyl]-2-oxobutanamide is CCC(=O)C(=O)NCCCC/C=C\CCCCCCCCCO.
What is the InChIKey of N-[(Z)-15-hydroxypentadec-5-enyl]-2-oxobutanamide?
The InChIKey is IQSGKVQDFKPTLH-VURMDHGXSA-N. The full InChI is InChI=1S/C19H35NO3/c1-2-18(22)19(23)20-16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-21/h6,8,21H,2-5,7,9-17H2,1H3,(H,20,23)/b8-6-.
What are the key properties of N-[(Z)-15-hydroxypentadec-5-enyl]-2-oxobutanamide?
N-[(Z)-15-hydroxypentadec-5-enyl]-2-oxobutanamide has a molecular weight of 325.49 g/mol, XLogP of 3.92, 16 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-15-hydroxypentadec-5-enyl]-2-oxobutanamide is sourced from PubChem (CID 159151259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).