(Z)-N-heptyl-4-(1-hydroxyethyl)hex-4-enamide

C15H29NO2 — CID 138604549

IUPAC(Z)-N-heptyl-4-(1-hydroxyethyl)hex-4-enamide
SMILESC/C=C(/CCC(=O)NCCCCCCC)C(C)O
InChIInChI=1S/C15H29NO2/c1-4-6-7-8-9-12-16-15(18)11-10-14(5-2)13(3)17/h5,13,17H,4,6-12H2,1-3H3,(H,16,18)/b14-5-
InChIKeyGFHDFYQLCNQBBS-RZNTYIFUSA-N
MW255.40 g/mol
LogP3.18
Rot. Bonds10

About (Z)-N-heptyl-4-(1-hydroxyethyl)hex-4-enamide

(Z)-N-heptyl-4-(1-hydroxyethyl)hex-4-enamide (PubChem CID 138604549) has the molecular formula C15H29NO2 and a molecular weight of 255.40 g/mol. Its IUPAC name is (Z)-N-heptyl-4-(1-hydroxyethyl)hex-4-enamide.

Molecular Properties

Compound Name(Z)-N-heptyl-4-(1-hydroxyethyl)hex-4-enamide
PubChem CID138604549
Molecular FormulaC15H29NO2
Molecular Weight255.40 g/mol
Exact Mass255.22
IUPAC Name(Z)-N-heptyl-4-(1-hydroxyethyl)hex-4-enamide
SMILESC/C=C(/CCC(=O)NCCCCCCC)C(C)O
InChIInChI=1S/C15H29NO2/c1-4-6-7-8-9-12-16-15(18)11-10-14(5-2)13(3)17/h5,13,17H,4,6-12H2,1-3H3,(H,16,18)/b14-5-
InChIKeyGFHDFYQLCNQBBS-RZNTYIFUSA-N
XLogP3.18
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.40
LogP ≤ 53.18
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'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-N-heptyl-4-(1-hydroxyethyl)hex-4-enamide?
The IUPAC name of (Z)-N-heptyl-4-(1-hydroxyethyl)hex-4-enamide (CID 138604549) is (Z)-N-heptyl-4-(1-hydroxyethyl)hex-4-enamide.
What is the SMILES notation for (Z)-N-heptyl-4-(1-hydroxyethyl)hex-4-enamide?
The canonical SMILES for (Z)-N-heptyl-4-(1-hydroxyethyl)hex-4-enamide is C/C=C(/CCC(=O)NCCCCCCC)C(C)O.
What is the InChIKey of (Z)-N-heptyl-4-(1-hydroxyethyl)hex-4-enamide?
The InChIKey is GFHDFYQLCNQBBS-RZNTYIFUSA-N. The full InChI is InChI=1S/C15H29NO2/c1-4-6-7-8-9-12-16-15(18)11-10-14(5-2)13(3)17/h5,13,17H,4,6-12H2,1-3H3,(H,16,18)/b14-5-.
What are the key properties of (Z)-N-heptyl-4-(1-hydroxyethyl)hex-4-enamide?
(Z)-N-heptyl-4-(1-hydroxyethyl)hex-4-enamide has a molecular weight of 255.40 g/mol, XLogP of 3.18, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-heptyl-4-(1-hydroxyethyl)hex-4-enamide is sourced from PubChem (CID 138604549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).