(E)-N-(4-hydroxybutyl)-N-(2-hydroxyethyl)dec-7-enamide

C16H31NO3 — CID 121257150

IUPAC(E)-N-(4-hydroxybutyl)-N-(2-hydroxyethyl)dec-7-enamide
SMILESCC/C=C/CCCCCC(=O)N(CCO)CCCCO
InChIInChI=1S/C16H31NO3/c1-2-3-4-5-6-7-8-11-16(20)17(13-15-19)12-9-10-14-18/h3-4,18-19H,2,5-15H2,1H3/b4-3+
InChIKeyLYGROGVVHIDRME-ONEGZZNKSA-N
MW285.43 g/mol
LogP2.50
Rot. Bonds13

About (E)-N-(4-hydroxybutyl)-N-(2-hydroxyethyl)dec-7-enamide

(E)-N-(4-hydroxybutyl)-N-(2-hydroxyethyl)dec-7-enamide (PubChem CID 121257150) has the molecular formula C16H31NO3 and a molecular weight of 285.43 g/mol. Its IUPAC name is (E)-N-(4-hydroxybutyl)-N-(2-hydroxyethyl)dec-7-enamide.

Molecular Properties

Compound Name(E)-N-(4-hydroxybutyl)-N-(2-hydroxyethyl)dec-7-enamide
PubChem CID121257150
Molecular FormulaC16H31NO3
Molecular Weight285.43 g/mol
Exact Mass285.23
IUPAC Name(E)-N-(4-hydroxybutyl)-N-(2-hydroxyethyl)dec-7-enamide
SMILESCC/C=C/CCCCCC(=O)N(CCO)CCCCO
InChIInChI=1S/C16H31NO3/c1-2-3-4-5-6-7-8-11-16(20)17(13-15-19)12-9-10-14-18/h3-4,18-19H,2,5-15H2,1H3/b4-3+
InChIKeyLYGROGVVHIDRME-ONEGZZNKSA-N
XLogP2.50
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.43
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 (E)-N-(4-hydroxybutyl)-N-(2-hydroxyethyl)dec-7-enamide?
The IUPAC name of (E)-N-(4-hydroxybutyl)-N-(2-hydroxyethyl)dec-7-enamide (CID 121257150) is (E)-N-(4-hydroxybutyl)-N-(2-hydroxyethyl)dec-7-enamide.
What is the SMILES notation for (E)-N-(4-hydroxybutyl)-N-(2-hydroxyethyl)dec-7-enamide?
The canonical SMILES for (E)-N-(4-hydroxybutyl)-N-(2-hydroxyethyl)dec-7-enamide is CC/C=C/CCCCCC(=O)N(CCO)CCCCO.
What is the InChIKey of (E)-N-(4-hydroxybutyl)-N-(2-hydroxyethyl)dec-7-enamide?
The InChIKey is LYGROGVVHIDRME-ONEGZZNKSA-N. The full InChI is InChI=1S/C16H31NO3/c1-2-3-4-5-6-7-8-11-16(20)17(13-15-19)12-9-10-14-18/h3-4,18-19H,2,5-15H2,1H3/b4-3+.
What are the key properties of (E)-N-(4-hydroxybutyl)-N-(2-hydroxyethyl)dec-7-enamide?
(E)-N-(4-hydroxybutyl)-N-(2-hydroxyethyl)dec-7-enamide has a molecular weight of 285.43 g/mol, XLogP of 2.50, 13 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(4-hydroxybutyl)-N-(2-hydroxyethyl)dec-7-enamide is sourced from PubChem (CID 121257150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).