N'-prop-1-enyloctadec-9-enehydrazide

C21H40N2O — CID 173235282

IUPACN'-prop-1-enyloctadec-9-enehydrazide
SMILESCC=CNNC(=O)CCCCCCCC=CCCCCCCCC
InChIInChI=1S/C21H40N2O/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21(24)23-22-20-4-2/h4,11-12,20,22H,3,5-10,13-19H2,1-2H3,(H,23,24)
InChIKeyBJNXCIDDAVLRRE-UHFFFAOYSA-N
MW336.56 g/mol
LogP6.18
Rot. Bonds17

About N'-prop-1-enyloctadec-9-enehydrazide

N'-prop-1-enyloctadec-9-enehydrazide (PubChem CID 173235282) has the molecular formula C21H40N2O and a molecular weight of 336.56 g/mol. Its IUPAC name is N'-prop-1-enyloctadec-9-enehydrazide.

Molecular Properties

Compound NameN'-prop-1-enyloctadec-9-enehydrazide
PubChem CID173235282
Molecular FormulaC21H40N2O
Molecular Weight336.56 g/mol
Exact Mass336.31
IUPAC NameN'-prop-1-enyloctadec-9-enehydrazide
SMILESCC=CNNC(=O)CCCCCCCC=CCCCCCCCC
InChIInChI=1S/C21H40N2O/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21(24)23-22-20-4-2/h4,11-12,20,22H,3,5-10,13-19H2,1-2H3,(H,23,24)
InChIKeyBJNXCIDDAVLRRE-UHFFFAOYSA-N
XLogP6.18
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.56
LogP ≤ 56.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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

nonadeca-2,12-dien-4-one
CID 151605854
11-bromo-N'-[(E)-dec-4-enoyl]undecanehydrazide
CID 102279254
1-N',9-N'-di(heptanoyl)nonanedihydrazide
CID 154340616
(Z)-N-chlorooctadec-9-enamide
CID 174372147
N-[2-[[(E)-octadec-9-enoyl]amino]ethyl]octadecanamide
CID 172898525
N-[2-[[(Z)-octadec-9-enoyl]amino]ethyl]octadecanamide
CID 58048841
(E)-N-[[(E)-octadec-9-enoyl]carbamoyl]octadec-9-enamide
CID 10121222
(E)-octadec-9-enehydrazide
CID 6281873
N,N'-bis[(E)-dodec-1-enyl]hexanediamide
CID 101279984
(Z)-dodec-2-ene;propan-2-one
CID 175013676
(E)-triacont-15-ene-8,23-dione
CID 11849500
N,N'-bis[(E)-non-2-enyl]hexanediamide
CID 101279958

Frequently Asked Questions

What is the IUPAC name of N'-prop-1-enyloctadec-9-enehydrazide?
The IUPAC name of N'-prop-1-enyloctadec-9-enehydrazide (CID 173235282) is N'-prop-1-enyloctadec-9-enehydrazide.
What is the SMILES notation for N'-prop-1-enyloctadec-9-enehydrazide?
The canonical SMILES for N'-prop-1-enyloctadec-9-enehydrazide is CC=CNNC(=O)CCCCCCCC=CCCCCCCCC.
What is the InChIKey of N'-prop-1-enyloctadec-9-enehydrazide?
The InChIKey is BJNXCIDDAVLRRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H40N2O/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21(24)23-22-20-4-2/h4,11-12,20,22H,3,5-10,13-19H2,1-2H3,(H,23,24).
What are the key properties of N'-prop-1-enyloctadec-9-enehydrazide?
N'-prop-1-enyloctadec-9-enehydrazide has a molecular weight of 336.56 g/mol, XLogP of 6.18, 17 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-prop-1-enyloctadec-9-enehydrazide is sourced from PubChem (CID 173235282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).