N'-[(Z)-14-(2-hydroxyphenoxy)tetradec-6-enyl]oxamide

C22H34N2O4 — CID 126483551

IUPACN'-[(Z)-14-(2-hydroxyphenoxy)tetradec-6-enyl]oxamide
SMILESNC(=O)C(=O)NCCCCC/C=C\CCCCCCCOc1ccccc1O
InChIInChI=1S/C22H34N2O4/c23-21(26)22(27)24-17-13-9-7-5-3-1-2-4-6-8-10-14-18-28-20-16-12-11-15-19(20)25/h1,3,11-12,15-16,25H,2,4-10,13-14,17-18H2,(H2,23,26)(H,24,27)/b3-1-
InChIKeySEEMWXBLHNTWHA-IWQZZHSRSA-N
MW390.52 g/mol
LogP3.83
Rot. Bonds15

About N'-[(Z)-14-(2-hydroxyphenoxy)tetradec-6-enyl]oxamide

N'-[(Z)-14-(2-hydroxyphenoxy)tetradec-6-enyl]oxamide (PubChem CID 126483551) has the molecular formula C22H34N2O4 and a molecular weight of 390.52 g/mol. Its IUPAC name is N'-[(Z)-14-(2-hydroxyphenoxy)tetradec-6-enyl]oxamide.

Molecular Properties

Compound NameN'-[(Z)-14-(2-hydroxyphenoxy)tetradec-6-enyl]oxamide
PubChem CID126483551
Molecular FormulaC22H34N2O4
Molecular Weight390.52 g/mol
Exact Mass390.25
IUPAC NameN'-[(Z)-14-(2-hydroxyphenoxy)tetradec-6-enyl]oxamide
SMILESNC(=O)C(=O)NCCCCC/C=C\CCCCCCCOc1ccccc1O
InChIInChI=1S/C22H34N2O4/c23-21(26)22(27)24-17-13-9-7-5-3-1-2-4-6-8-10-14-18-28-20-16-12-11-15-19(20)25/h1,3,11-12,15-16,25H,2,4-10,13-14,17-18H2,(H2,23,26)(H,24,27)/b3-1-
InChIKeySEEMWXBLHNTWHA-IWQZZHSRSA-N
XLogP3.83
TPSA101.65 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.52
LogP ≤ 53.83
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'-[4-[2-[3-[2-(hydroxymethyl)phenoxy]propyl]phenyl]butyl]oxamide
CID 175107069
ethanol;2-[8-(2-hydroxyethylamino)octoxy]phenol
CID 143846527
N-(4-hydroxybutyl)-2-(2-hydroxyphenoxy)acetamide
CID 106843375
N-[4-(4-fluorophenoxy)butyl]-2-(2-hydroxyphenoxy)acetamide
CID 78830111
2-(5-bromopentoxy)phenol
CID 13197601
2-tridecoxyphenol
CID 67178320
N'-[(Z)-13-(2-anilino-2-oxoethoxy)tridec-5-enyl]-N-methyloxamide
CID 126483519
benzene-1,2-diol;2-hexoxyphenol
CID 70150520
methyl 4-(2-hydroxyphenoxy)butanoate
CID 71402500
11-[4-(2-aminophenoxy)butanoylamino]undecanoic acid
CID 84555646
[(E)-16-(phenylcarbamoyloxy)hexadec-8-enyl] N-phenylcarbamate
CID 134983552
2-(2-hydroxyphenoxy)acetamide
CID 786426

Frequently Asked Questions

What is the IUPAC name of N'-[(Z)-14-(2-hydroxyphenoxy)tetradec-6-enyl]oxamide?
The IUPAC name of N'-[(Z)-14-(2-hydroxyphenoxy)tetradec-6-enyl]oxamide (CID 126483551) is N'-[(Z)-14-(2-hydroxyphenoxy)tetradec-6-enyl]oxamide.
What is the SMILES notation for N'-[(Z)-14-(2-hydroxyphenoxy)tetradec-6-enyl]oxamide?
The canonical SMILES for N'-[(Z)-14-(2-hydroxyphenoxy)tetradec-6-enyl]oxamide is NC(=O)C(=O)NCCCCC/C=C\CCCCCCCOc1ccccc1O.
What is the InChIKey of N'-[(Z)-14-(2-hydroxyphenoxy)tetradec-6-enyl]oxamide?
The InChIKey is SEEMWXBLHNTWHA-IWQZZHSRSA-N. The full InChI is InChI=1S/C22H34N2O4/c23-21(26)22(27)24-17-13-9-7-5-3-1-2-4-6-8-10-14-18-28-20-16-12-11-15-19(20)25/h1,3,11-12,15-16,25H,2,4-10,13-14,17-18H2,(H2,23,26)(H,24,27)/b3-1-.
What are the key properties of N'-[(Z)-14-(2-hydroxyphenoxy)tetradec-6-enyl]oxamide?
N'-[(Z)-14-(2-hydroxyphenoxy)tetradec-6-enyl]oxamide has a molecular weight of 390.52 g/mol, XLogP of 3.83, 15 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(Z)-14-(2-hydroxyphenoxy)tetradec-6-enyl]oxamide is sourced from PubChem (CID 126483551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).