N'-(13-amino-13-hydroxyiminotridec-5-enyl)-N-butyloxamide

C19H36N4O3 — CID 123406959

IUPACN'-(13-amino-13-hydroxyiminotridec-5-enyl)-N-butyloxamide
SMILESCCCCNC(=O)C(=O)NCCCCC=CCCCCCCC(N)=NO
InChIInChI=1S/C19H36N4O3/c1-2-3-15-21-18(24)19(25)22-16-13-11-9-7-5-4-6-8-10-12-14-17(20)23-26/h5,7,26H,2-4,6,8-16H2,1H3,(H2,20,23)(H,21,24)(H,22,25)
InChIKeyQMHISUILXLVNKK-UHFFFAOYSA-N
MW368.52 g/mol
LogP2.83
Rot. Bonds15

About N'-(13-amino-13-hydroxyiminotridec-5-enyl)-N-butyloxamide

N'-(13-amino-13-hydroxyiminotridec-5-enyl)-N-butyloxamide (PubChem CID 123406959) has the molecular formula C19H36N4O3 and a molecular weight of 368.52 g/mol. Its IUPAC name is N'-(13-amino-13-hydroxyiminotridec-5-enyl)-N-butyloxamide.

Molecular Properties

Compound NameN'-(13-amino-13-hydroxyiminotridec-5-enyl)-N-butyloxamide
PubChem CID123406959
Molecular FormulaC19H36N4O3
Molecular Weight368.52 g/mol
Exact Mass368.28
IUPAC NameN'-(13-amino-13-hydroxyiminotridec-5-enyl)-N-butyloxamide
SMILESCCCCNC(=O)C(=O)NCCCCC=CCCCCCCC(N)=NO
InChIInChI=1S/C19H36N4O3/c1-2-3-15-21-18(24)19(25)22-16-13-11-9-7-5-4-6-8-10-12-14-17(20)23-26/h5,7,26H,2-4,6,8-16H2,1H3,(H2,20,23)(H,21,24)(H,22,25)
InChIKeyQMHISUILXLVNKK-UHFFFAOYSA-N
XLogP2.83
TPSA116.81 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.52
LogP ≤ 52.83
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-(5-amino-5-hydroxyiminopentyl)octanamide
CID 77036923
N-hexyloctadec-9-enamide
CID 57210632
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
(Z)-N-hexadecyloctadec-9-enamide
CID 87108335
(E)-N-pentadecyloctadec-9-enamide
CID 166963229
(Z)-N-dodecyldocos-13-enamide
CID 87733981
(Z)-N-butyloctadec-9-enamide
CID 6436496
N-hexylhexadecanamide;(Z)-tetradec-9-enamide
CID 156747366
(Z)-N-hexyltetradec-9-enamide;tetradecanamide
CID 156747401

Frequently Asked Questions

What is the IUPAC name of N'-(13-amino-13-hydroxyiminotridec-5-enyl)-N-butyloxamide?
The IUPAC name of N'-(13-amino-13-hydroxyiminotridec-5-enyl)-N-butyloxamide (CID 123406959) is N'-(13-amino-13-hydroxyiminotridec-5-enyl)-N-butyloxamide.
What is the SMILES notation for N'-(13-amino-13-hydroxyiminotridec-5-enyl)-N-butyloxamide?
The canonical SMILES for N'-(13-amino-13-hydroxyiminotridec-5-enyl)-N-butyloxamide is CCCCNC(=O)C(=O)NCCCCC=CCCCCCCC(N)=NO.
What is the InChIKey of N'-(13-amino-13-hydroxyiminotridec-5-enyl)-N-butyloxamide?
The InChIKey is QMHISUILXLVNKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36N4O3/c1-2-3-15-21-18(24)19(25)22-16-13-11-9-7-5-4-6-8-10-12-14-17(20)23-26/h5,7,26H,2-4,6,8-16H2,1H3,(H2,20,23)(H,21,24)(H,22,25).
What are the key properties of N'-(13-amino-13-hydroxyiminotridec-5-enyl)-N-butyloxamide?
N'-(13-amino-13-hydroxyiminotridec-5-enyl)-N-butyloxamide has a molecular weight of 368.52 g/mol, XLogP of 2.83, 15 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(13-amino-13-hydroxyiminotridec-5-enyl)-N-butyloxamide is sourced from PubChem (CID 123406959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).