N'-[(Z)-13-[[hydroxy(oxido)amino]methoxy]tridec-5-enyl]-N-methyloxamide

C17H32N3O5- — CID 163891057

IUPACN'-[(Z)-13-[[hydroxy(oxido)amino]methoxy]tridec-5-enyl]-N-methyloxamide
SMILESCNC(=O)C(=O)NCCCC/C=C\CCCCCCCOCN([O-])O
InChIInChI=1S/C17H32N3O5/c1-18-16(21)17(22)19-13-11-9-7-5-3-2-4-6-8-10-12-14-25-15-20(23)24/h3,5,23H,2,4,6-15H2,1H3,(H,18,21)(H,19,22)/q-1/b5-3-
InChIKeyNSQPIKFTMOMDHZ-HYXAFXHYSA-N
MW358.46 g/mol
LogP2.08
Rot. Bonds15

About N'-[(Z)-13-[[hydroxy(oxido)amino]methoxy]tridec-5-enyl]-N-methyloxamide

N'-[(Z)-13-[[hydroxy(oxido)amino]methoxy]tridec-5-enyl]-N-methyloxamide (PubChem CID 163891057) has the molecular formula C17H32N3O5- and a molecular weight of 358.46 g/mol. Its IUPAC name is N'-[(Z)-13-[[hydroxy(oxido)amino]methoxy]tridec-5-enyl]-N-methyloxamide.

Molecular Properties

Compound NameN'-[(Z)-13-[[hydroxy(oxido)amino]methoxy]tridec-5-enyl]-N-methyloxamide
PubChem CID163891057
Molecular FormulaC17H32N3O5-
Molecular Weight358.46 g/mol
Exact Mass358.23
IUPAC NameN'-[(Z)-13-[[hydroxy(oxido)amino]methoxy]tridec-5-enyl]-N-methyloxamide
SMILESCNC(=O)C(=O)NCCCC/C=C\CCCCCCCOCN([O-])O
InChIInChI=1S/C17H32N3O5/c1-18-16(21)17(22)19-13-11-9-7-5-3-2-4-6-8-10-12-14-25-15-20(23)24/h3,5,23H,2,4,6-15H2,1H3,(H,18,21)(H,19,22)/q-1/b5-3-
InChIKeyNSQPIKFTMOMDHZ-HYXAFXHYSA-N
XLogP2.08
TPSA113.96 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.46
LogP ≤ 52.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-methyl-N'-(16-oxoheptadec-5-enyl)oxamide
CID 91456629
ethyl 2-hept-6-enoxyacetate;ethyl 2-[(Z)-13-[[2-(methylamino)-2-oxoacetyl]amino]tridec-8-enoxy]acetate
CID 163892701
N'-[(Z)-13-(2-anilino-2-oxoethoxy)tridec-5-enyl]-N-methyloxamide
CID 126483519
(Z)-15-[[2-(methylamino)-2-oxoacetyl]amino]pentadec-10-ene-1-sulfonic acid
CID 118256706
N'-[(Z)-13-[2-(benzenesulfonamido)-2-oxoethoxy]tridec-5-enyl]-N-methyloxamide
CID 126483539
N-[(Z)-15-hydroxypentadec-5-enyl]-2-oxobutanamide
CID 159151259
lithium;ethyl 2-diazoacetate;ethyl 2-hept-6-enoxyacetate;ethyl 2-[(Z)-16-(methylamino)-15,16-dioxohexadec-8-enoxy]acetate;hept-6-en-1-ol;2-[(Z)-13-[[2-(methylamino)-2-oxoacetyl]amino]tridec-8-enoxy]acetic acid;hydroxide
CID 163535383
N'-[(Z)-16-(benzenesulfonamido)-16-hydroxyhexadec-5-enyl]-N-methyloxamide
CID 138613777
1-[(Z)-octadec-9-enyl]-3-[6-[[(Z)-octadec-9-enyl]carbamoylamino]hexyl]urea
CID 159541193
octadec-9-enyl N-butylcarbamate
CID 91581457
2-bromo-N-[(E)-octadec-9-enyl]acetamide
CID 25125277
octadec-9-enyl N-methylcarbamate
CID 123820501

Frequently Asked Questions

What is the IUPAC name of N'-[(Z)-13-[[hydroxy(oxido)amino]methoxy]tridec-5-enyl]-N-methyloxamide?
The IUPAC name of N'-[(Z)-13-[[hydroxy(oxido)amino]methoxy]tridec-5-enyl]-N-methyloxamide (CID 163891057) is N'-[(Z)-13-[[hydroxy(oxido)amino]methoxy]tridec-5-enyl]-N-methyloxamide.
What is the SMILES notation for N'-[(Z)-13-[[hydroxy(oxido)amino]methoxy]tridec-5-enyl]-N-methyloxamide?
The canonical SMILES for N'-[(Z)-13-[[hydroxy(oxido)amino]methoxy]tridec-5-enyl]-N-methyloxamide is CNC(=O)C(=O)NCCCC/C=C\CCCCCCCOCN([O-])O.
What is the InChIKey of N'-[(Z)-13-[[hydroxy(oxido)amino]methoxy]tridec-5-enyl]-N-methyloxamide?
The InChIKey is NSQPIKFTMOMDHZ-HYXAFXHYSA-N. The full InChI is InChI=1S/C17H32N3O5/c1-18-16(21)17(22)19-13-11-9-7-5-3-2-4-6-8-10-12-14-25-15-20(23)24/h3,5,23H,2,4,6-15H2,1H3,(H,18,21)(H,19,22)/q-1/b5-3-.
What are the key properties of N'-[(Z)-13-[[hydroxy(oxido)amino]methoxy]tridec-5-enyl]-N-methyloxamide?
N'-[(Z)-13-[[hydroxy(oxido)amino]methoxy]tridec-5-enyl]-N-methyloxamide has a molecular weight of 358.46 g/mol, XLogP of 2.08, 15 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(Z)-13-[[hydroxy(oxido)amino]methoxy]tridec-5-enyl]-N-methyloxamide is sourced from PubChem (CID 163891057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).