(Z)-2,2,3-trimethyl-N'-propyldocos-13-enehydrazide

C28H56N2O — CID 89428591

IUPAC(Z)-2,2,3-trimethyl-N'-propyldocos-13-enehydrazide
SMILESCCCCCCCC/C=C\CCCCCCCCCC(C)C(C)(C)C(=O)NNCCC
InChIInChI=1S/C28H56N2O/c1-6-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-26(3)28(4,5)27(31)30-29-25-7-2/h14-15,26,29H,6-13,16-25H2,1-5H3,(H,30,31)/b15-14-
InChIKeyXRXKKVHOZCRWEU-PFONDFGASA-N
MW436.77 g/mol
LogP8.50
Rot. Bonds22

About (Z)-2,2,3-trimethyl-N'-propyldocos-13-enehydrazide

(Z)-2,2,3-trimethyl-N'-propyldocos-13-enehydrazide (PubChem CID 89428591) has the molecular formula C28H56N2O and a molecular weight of 436.77 g/mol. Its IUPAC name is (Z)-2,2,3-trimethyl-N'-propyldocos-13-enehydrazide.

Molecular Properties

Compound Name(Z)-2,2,3-trimethyl-N'-propyldocos-13-enehydrazide
PubChem CID89428591
Molecular FormulaC28H56N2O
Molecular Weight436.77 g/mol
Exact Mass436.44
IUPAC Name(Z)-2,2,3-trimethyl-N'-propyldocos-13-enehydrazide
SMILESCCCCCCCC/C=C\CCCCCCCCCC(C)C(C)(C)C(=O)NNCCC
InChIInChI=1S/C28H56N2O/c1-6-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-26(3)28(4,5)27(31)30-29-25-7-2/h14-15,26,29H,6-13,16-25H2,1-5H3,(H,30,31)/b15-14-
InChIKeyXRXKKVHOZCRWEU-PFONDFGASA-N
XLogP8.50
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds22
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.77
LogP ≤ 58.50
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

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CID 54547643
(Z)-2-[(Z)-octadec-9-enyl]docos-13-enoic acid
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2-[(Z)-tetradec-7-enyl]icosanoic acid
CID 56844148
(E)-2-propan-2-yloctadec-9-enoic acid
CID 21159543
(Z)-octacos-19-ene-10,11-diol
CID 87651448
2-hexadecylicos-11-enamide
CID 173011844
2,2-dimethyl-N-[(Z)-11-(3-methylpentan-3-yloxy)heptadec-8-enyl]butanamide
CID 88957916
[(Z,2R)-heptadec-8-en-2-yl] acetate
CID 66573257
(Z)-2-docosyl-3-hydroxynonatriacont-18-enoic acid
CID 138454181
(Z)-2-dodecan-2-yloctadec-9-enoic acid
CID 175593918
(Z)-2-(1-hydroxyethyl)octadec-9-enoic acid
CID 141002833
16-methyl-2-octadecyldocos-13-enoic acid
CID 174214728

Frequently Asked Questions

What is the IUPAC name of (Z)-2,2,3-trimethyl-N'-propyldocos-13-enehydrazide?
The IUPAC name of (Z)-2,2,3-trimethyl-N'-propyldocos-13-enehydrazide (CID 89428591) is (Z)-2,2,3-trimethyl-N'-propyldocos-13-enehydrazide.
What is the SMILES notation for (Z)-2,2,3-trimethyl-N'-propyldocos-13-enehydrazide?
The canonical SMILES for (Z)-2,2,3-trimethyl-N'-propyldocos-13-enehydrazide is CCCCCCCC/C=C\CCCCCCCCCC(C)C(C)(C)C(=O)NNCCC.
What is the InChIKey of (Z)-2,2,3-trimethyl-N'-propyldocos-13-enehydrazide?
The InChIKey is XRXKKVHOZCRWEU-PFONDFGASA-N. The full InChI is InChI=1S/C28H56N2O/c1-6-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-26(3)28(4,5)27(31)30-29-25-7-2/h14-15,26,29H,6-13,16-25H2,1-5H3,(H,30,31)/b15-14-.
What are the key properties of (Z)-2,2,3-trimethyl-N'-propyldocos-13-enehydrazide?
(Z)-2,2,3-trimethyl-N'-propyldocos-13-enehydrazide has a molecular weight of 436.77 g/mol, XLogP of 8.50, 22 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2,2,3-trimethyl-N'-propyldocos-13-enehydrazide is sourced from PubChem (CID 89428591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).