N-[(Z)-4-hydroxydocos-13-enyl]formamide

C23H45NO2 — CID 155296496

IUPACN-[(Z)-4-hydroxydocos-13-enyl]formamide
SMILESCCCCCCCC/C=C\CCCCCCCCC(O)CCCNC=O
InChIInChI=1S/C23H45NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-23(26)20-18-21-24-22-25/h9-10,22-23,26H,2-8,11-21H2,1H3,(H,24,25)/b10-9-
InChIKeyWUESMNQKZFCMTJ-KTKRTIGZSA-N
MW367.62 g/mol
LogP6.30
Rot. Bonds21

About N-[(Z)-4-hydroxydocos-13-enyl]formamide

N-[(Z)-4-hydroxydocos-13-enyl]formamide (PubChem CID 155296496) has the molecular formula C23H45NO2 and a molecular weight of 367.62 g/mol. Its IUPAC name is N-[(Z)-4-hydroxydocos-13-enyl]formamide.

Molecular Properties

Compound NameN-[(Z)-4-hydroxydocos-13-enyl]formamide
PubChem CID155296496
Molecular FormulaC23H45NO2
Molecular Weight367.62 g/mol
Exact Mass367.35
IUPAC NameN-[(Z)-4-hydroxydocos-13-enyl]formamide
SMILESCCCCCCCC/C=C\CCCCCCCCC(O)CCCNC=O
InChIInChI=1S/C23H45NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-23(26)20-18-21-24-22-25/h9-10,22-23,26H,2-8,11-21H2,1H3,(H,24,25)/b10-9-
InChIKeyWUESMNQKZFCMTJ-KTKRTIGZSA-N
XLogP6.30
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds21
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.62
LogP ≤ 56.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(Z)-4-hydroxyoctadec-9-enal
CID 173341795
N-[(Z)-octadec-9-enyl]formamide;trihydrochloride
CID 174550663
octacos-21-en-10-ol
CID 163011476
(Z)-tetracos-6-en-10-ol
CID 168947717
(Z)-1-(2-aminoethylamino)octadec-9-en-3-ol
CID 139659771
(E)-12-hydroxyoctadec-9-enal
CID 87273358
(E)-hentetracont-36-en-5-ol
CID 87492179
henicosa-6,15-dien-10-ol
CID 141379717
3-hydroxyhexadec-9-enal
CID 175100822
N-(4-butyldecyl)formamide
CID 166649158
N-(5-heptyltridecyl)formamide
CID 166649045
(7R)-18-(heptadecylamino)octadecan-7-ol
CID 88529231

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-4-hydroxydocos-13-enyl]formamide?
The IUPAC name of N-[(Z)-4-hydroxydocos-13-enyl]formamide (CID 155296496) is N-[(Z)-4-hydroxydocos-13-enyl]formamide.
What is the SMILES notation for N-[(Z)-4-hydroxydocos-13-enyl]formamide?
The canonical SMILES for N-[(Z)-4-hydroxydocos-13-enyl]formamide is CCCCCCCC/C=C\CCCCCCCCC(O)CCCNC=O.
What is the InChIKey of N-[(Z)-4-hydroxydocos-13-enyl]formamide?
The InChIKey is WUESMNQKZFCMTJ-KTKRTIGZSA-N. The full InChI is InChI=1S/C23H45NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-23(26)20-18-21-24-22-25/h9-10,22-23,26H,2-8,11-21H2,1H3,(H,24,25)/b10-9-.
What are the key properties of N-[(Z)-4-hydroxydocos-13-enyl]formamide?
N-[(Z)-4-hydroxydocos-13-enyl]formamide has a molecular weight of 367.62 g/mol, XLogP of 6.30, 21 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-4-hydroxydocos-13-enyl]formamide is sourced from PubChem (CID 155296496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).