N'-ethyl-2-methyl-N'-tridecylprop-2-enehydrazide

C19H38N2O — CID 87430656

IUPACN'-ethyl-2-methyl-N'-tridecylprop-2-enehydrazide
SMILESC=C(C)C(=O)NN(CC)CCCCCCCCCCCCC
InChIInChI=1S/C19H38N2O/c1-5-7-8-9-10-11-12-13-14-15-16-17-21(6-2)20-19(22)18(3)4/h3,5-17H2,1-2,4H3,(H,20,22)
InChIKeyYDWJEDVQUSQIMD-UHFFFAOYSA-N
MW310.53 g/mol
LogP5.23
Rot. Bonds15

About N'-ethyl-2-methyl-N'-tridecylprop-2-enehydrazide

N'-ethyl-2-methyl-N'-tridecylprop-2-enehydrazide (PubChem CID 87430656) has the molecular formula C19H38N2O and a molecular weight of 310.53 g/mol. Its IUPAC name is N'-ethyl-2-methyl-N'-tridecylprop-2-enehydrazide.

Molecular Properties

Compound NameN'-ethyl-2-methyl-N'-tridecylprop-2-enehydrazide
PubChem CID87430656
Molecular FormulaC19H38N2O
Molecular Weight310.53 g/mol
Exact Mass310.30
IUPAC NameN'-ethyl-2-methyl-N'-tridecylprop-2-enehydrazide
SMILESC=C(C)C(=O)NN(CC)CCCCCCCCCCCCC
InChIInChI=1S/C19H38N2O/c1-5-7-8-9-10-11-12-13-14-15-16-17-21(6-2)20-19(22)18(3)4/h3,5-17H2,1-2,4H3,(H,20,22)
InChIKeyYDWJEDVQUSQIMD-UHFFFAOYSA-N
XLogP5.23
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.53
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-ethyl-2-methyl-N'-tridecylprop-2-enehydrazide?
The IUPAC name of N'-ethyl-2-methyl-N'-tridecylprop-2-enehydrazide (CID 87430656) is N'-ethyl-2-methyl-N'-tridecylprop-2-enehydrazide.
What is the SMILES notation for N'-ethyl-2-methyl-N'-tridecylprop-2-enehydrazide?
The canonical SMILES for N'-ethyl-2-methyl-N'-tridecylprop-2-enehydrazide is C=C(C)C(=O)NN(CC)CCCCCCCCCCCCC.
What is the InChIKey of N'-ethyl-2-methyl-N'-tridecylprop-2-enehydrazide?
The InChIKey is YDWJEDVQUSQIMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38N2O/c1-5-7-8-9-10-11-12-13-14-15-16-17-21(6-2)20-19(22)18(3)4/h3,5-17H2,1-2,4H3,(H,20,22).
What are the key properties of N'-ethyl-2-methyl-N'-tridecylprop-2-enehydrazide?
N'-ethyl-2-methyl-N'-tridecylprop-2-enehydrazide has a molecular weight of 310.53 g/mol, XLogP of 5.23, 15 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-2-methyl-N'-tridecylprop-2-enehydrazide is sourced from PubChem (CID 87430656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).