N-(2-hydroxyethyl)heptadec-2-enamide

C19H37NO2 — CID 87530503

IUPACN-(2-hydroxyethyl)heptadec-2-enamide
SMILESCCCCCCCCCCCCCCC=CC(=O)NCCO
InChIInChI=1S/C19H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19(22)20-17-18-21/h15-16,21H,2-14,17-18H2,1H3,(H,20,22)
InChIKeyMTBIDIZBFWWPSN-UHFFFAOYSA-N
MW311.51 g/mol
LogP4.74
Rot. Bonds16

About N-(2-hydroxyethyl)heptadec-2-enamide

N-(2-hydroxyethyl)heptadec-2-enamide (PubChem CID 87530503) has the molecular formula C19H37NO2 and a molecular weight of 311.51 g/mol. Its IUPAC name is N-(2-hydroxyethyl)heptadec-2-enamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)heptadec-2-enamide
PubChem CID87530503
Molecular FormulaC19H37NO2
Molecular Weight311.51 g/mol
Exact Mass311.28
IUPAC NameN-(2-hydroxyethyl)heptadec-2-enamide
SMILESCCCCCCCCCCCCCCC=CC(=O)NCCO
InChIInChI=1S/C19H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19(22)20-17-18-21/h15-16,21H,2-14,17-18H2,1H3,(H,20,22)
InChIKeyMTBIDIZBFWWPSN-UHFFFAOYSA-N
XLogP4.74
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.51
LogP ≤ 54.74
H-Bond Donors ≤ 52
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'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)heptadec-2-enamide?
The IUPAC name of N-(2-hydroxyethyl)heptadec-2-enamide (CID 87530503) is N-(2-hydroxyethyl)heptadec-2-enamide.
What is the SMILES notation for N-(2-hydroxyethyl)heptadec-2-enamide?
The canonical SMILES for N-(2-hydroxyethyl)heptadec-2-enamide is CCCCCCCCCCCCCCC=CC(=O)NCCO.
What is the InChIKey of N-(2-hydroxyethyl)heptadec-2-enamide?
The InChIKey is MTBIDIZBFWWPSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19(22)20-17-18-21/h15-16,21H,2-14,17-18H2,1H3,(H,20,22).
What are the key properties of N-(2-hydroxyethyl)heptadec-2-enamide?
N-(2-hydroxyethyl)heptadec-2-enamide has a molecular weight of 311.51 g/mol, XLogP of 4.74, 16 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)heptadec-2-enamide is sourced from PubChem (CID 87530503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).