N'-[(Z)-13-(2-anilino-2-oxoethoxy)tridec-5-enyl]-N-methyloxamide

C24H37N3O4 — CID 126483519

IUPACN'-[(Z)-13-(2-anilino-2-oxoethoxy)tridec-5-enyl]-N-methyloxamide
SMILESCNC(=O)C(=O)NCCCC/C=C\CCCCCCCOCC(=O)Nc1ccccc1
InChIInChI=1S/C24H37N3O4/c1-25-23(29)24(30)26-18-14-9-7-5-3-2-4-6-8-10-15-19-31-20-22(28)27-21-16-12-11-13-17-21/h3,5,11-13,16-17H,2,4,6-10,14-15,18-20H2,1H3,(H,25,29)(H,26,30)(H,27,28)/b5-3-
InChIKeyJWNWZHQCCCQLEL-HYXAFXHYSA-N
MW431.58 g/mol
LogP3.57
Rot. Bonds16

About N'-[(Z)-13-(2-anilino-2-oxoethoxy)tridec-5-enyl]-N-methyloxamide

N'-[(Z)-13-(2-anilino-2-oxoethoxy)tridec-5-enyl]-N-methyloxamide (PubChem CID 126483519) has the molecular formula C24H37N3O4 and a molecular weight of 431.58 g/mol. Its IUPAC name is N'-[(Z)-13-(2-anilino-2-oxoethoxy)tridec-5-enyl]-N-methyloxamide.

Molecular Properties

Compound NameN'-[(Z)-13-(2-anilino-2-oxoethoxy)tridec-5-enyl]-N-methyloxamide
PubChem CID126483519
Molecular FormulaC24H37N3O4
Molecular Weight431.58 g/mol
Exact Mass431.28
IUPAC NameN'-[(Z)-13-(2-anilino-2-oxoethoxy)tridec-5-enyl]-N-methyloxamide
SMILESCNC(=O)C(=O)NCCCC/C=C\CCCCCCCOCC(=O)Nc1ccccc1
InChIInChI=1S/C24H37N3O4/c1-25-23(29)24(30)26-18-14-9-7-5-3-2-4-6-8-10-15-19-31-20-22(28)27-21-16-12-11-13-17-21/h3,5,11-13,16-17H,2,4,6-10,14-15,18-20H2,1H3,(H,25,29)(H,26,30)(H,27,28)/b5-3-
InChIKeyJWNWZHQCCCQLEL-HYXAFXHYSA-N
XLogP3.57
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.58
LogP ≤ 53.57
H-Bond Donors ≤ 53
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': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N'-[(Z)-13-[2-(benzenesulfonamido)-2-oxoethoxy]tridec-5-enyl]-N-methyloxamide
CID 126483539
N'-[(Z)-13-[[hydroxy(oxido)amino]methoxy]tridec-5-enyl]-N-methyloxamide
CID 163891057
ethyl 2-hept-6-enoxyacetate;ethyl 2-[(Z)-13-[[2-(methylamino)-2-oxoacetyl]amino]tridec-8-enoxy]acetate
CID 163892701
6-(2-oxopropanoylamino)-N-phenylhexanamide
CID 162677801
N-(3-methoxypropyl)-N'-phenyloxamide
CID 3437698
[(E)-16-(phenylcarbamoyloxy)hexadec-8-enyl] N-phenylcarbamate
CID 134983552
N-(6-hydroxyhexyl)-N'-phenyloxamide
CID 50850958
(Z)-N-phenyloctadec-9-enamide
CID 5354590
N-phenyldocos-13-enamide
CID 54224492
1-[(Z)-octadec-9-enyl]-3-phenylthiourea
CID 155242561
N-methyl-N'-(16-oxoheptadec-5-enyl)oxamide
CID 91456629
N-butyl-N'-phenyloxamide
CID 2290889

Frequently Asked Questions

What is the IUPAC name of N'-[(Z)-13-(2-anilino-2-oxoethoxy)tridec-5-enyl]-N-methyloxamide?
The IUPAC name of N'-[(Z)-13-(2-anilino-2-oxoethoxy)tridec-5-enyl]-N-methyloxamide (CID 126483519) is N'-[(Z)-13-(2-anilino-2-oxoethoxy)tridec-5-enyl]-N-methyloxamide.
What is the SMILES notation for N'-[(Z)-13-(2-anilino-2-oxoethoxy)tridec-5-enyl]-N-methyloxamide?
The canonical SMILES for N'-[(Z)-13-(2-anilino-2-oxoethoxy)tridec-5-enyl]-N-methyloxamide is CNC(=O)C(=O)NCCCC/C=C\CCCCCCCOCC(=O)Nc1ccccc1.
What is the InChIKey of N'-[(Z)-13-(2-anilino-2-oxoethoxy)tridec-5-enyl]-N-methyloxamide?
The InChIKey is JWNWZHQCCCQLEL-HYXAFXHYSA-N. The full InChI is InChI=1S/C24H37N3O4/c1-25-23(29)24(30)26-18-14-9-7-5-3-2-4-6-8-10-15-19-31-20-22(28)27-21-16-12-11-13-17-21/h3,5,11-13,16-17H,2,4,6-10,14-15,18-20H2,1H3,(H,25,29)(H,26,30)(H,27,28)/b5-3-.
What are the key properties of N'-[(Z)-13-(2-anilino-2-oxoethoxy)tridec-5-enyl]-N-methyloxamide?
N'-[(Z)-13-(2-anilino-2-oxoethoxy)tridec-5-enyl]-N-methyloxamide has a molecular weight of 431.58 g/mol, XLogP of 3.57, 16 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(Z)-13-(2-anilino-2-oxoethoxy)tridec-5-enyl]-N-methyloxamide is sourced from PubChem (CID 126483519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).