N-methyl-N'-(16-oxoheptadec-5-enyl)oxamide

C20H36N2O3 — CID 91456629

IUPACN-methyl-N'-(16-oxoheptadec-5-enyl)oxamide
SMILESCNC(=O)C(=O)NCCCCC=CCCCCCCCCCC(C)=O
InChIInChI=1S/C20H36N2O3/c1-18(23)16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-22-20(25)19(24)21-2/h7,9H,3-6,8,10-17H2,1-2H3,(H,21,24)(H,22,25)
InChIKeySXWWYCREXYEKNQ-UHFFFAOYSA-N
MW352.52 g/mol
LogP3.67
Rot. Bonds15

About N-methyl-N'-(16-oxoheptadec-5-enyl)oxamide

N-methyl-N'-(16-oxoheptadec-5-enyl)oxamide (PubChem CID 91456629) has the molecular formula C20H36N2O3 and a molecular weight of 352.52 g/mol. Its IUPAC name is N-methyl-N'-(16-oxoheptadec-5-enyl)oxamide.

Molecular Properties

Compound NameN-methyl-N'-(16-oxoheptadec-5-enyl)oxamide
PubChem CID91456629
Molecular FormulaC20H36N2O3
Molecular Weight352.52 g/mol
Exact Mass352.27
IUPAC NameN-methyl-N'-(16-oxoheptadec-5-enyl)oxamide
SMILESCNC(=O)C(=O)NCCCCC=CCCCCCCCCCC(C)=O
InChIInChI=1S/C20H36N2O3/c1-18(23)16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-22-20(25)19(24)21-2/h7,9H,3-6,8,10-17H2,1-2H3,(H,21,24)(H,22,25)
InChIKeySXWWYCREXYEKNQ-UHFFFAOYSA-N
XLogP3.67
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.52
LogP ≤ 53.67
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

(Z)-15-[[2-(methylamino)-2-oxoacetyl]amino]pentadec-10-ene-1-sulfonic acid
CID 118256706
hexadec-8-ene-2,15-dione
CID 91429732
N-(8-oxononyl)acetamide
CID 58114719
N'-[(Z)-13-[[hydroxy(oxido)amino]methoxy]tridec-5-enyl]-N-methyloxamide
CID 163891057
(Z)-heptadec-7-en-2-one
CID 90307080
(Z)-pentacos-16-en-2-one
CID 90307095
(E)-icos-10-en-2-one
CID 137410632
(E)-dotriacont-23-en-2-one
CID 5365248
(Z)-tricos-16-en-2-one
CID 134866400
pentadec-10-en-2-one
CID 71443705
tetratriacont-20-en-2-one
CID 56637991
henicos-9-en-2-one
CID 91100997

Frequently Asked Questions

What is the IUPAC name of N-methyl-N'-(16-oxoheptadec-5-enyl)oxamide?
The IUPAC name of N-methyl-N'-(16-oxoheptadec-5-enyl)oxamide (CID 91456629) is N-methyl-N'-(16-oxoheptadec-5-enyl)oxamide.
What is the SMILES notation for N-methyl-N'-(16-oxoheptadec-5-enyl)oxamide?
The canonical SMILES for N-methyl-N'-(16-oxoheptadec-5-enyl)oxamide is CNC(=O)C(=O)NCCCCC=CCCCCCCCCCC(C)=O.
What is the InChIKey of N-methyl-N'-(16-oxoheptadec-5-enyl)oxamide?
The InChIKey is SXWWYCREXYEKNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H36N2O3/c1-18(23)16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-22-20(25)19(24)21-2/h7,9H,3-6,8,10-17H2,1-2H3,(H,21,24)(H,22,25).
What are the key properties of N-methyl-N'-(16-oxoheptadec-5-enyl)oxamide?
N-methyl-N'-(16-oxoheptadec-5-enyl)oxamide has a molecular weight of 352.52 g/mol, XLogP of 3.67, 15 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N'-(16-oxoheptadec-5-enyl)oxamide is sourced from PubChem (CID 91456629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).