N-(12-hydroxydodecyl)prop-2-enamide

C15H29NO2 — CID 140604622

IUPACN-(12-hydroxydodecyl)prop-2-enamide
SMILESC=CC(=O)NCCCCCCCCCCCCO
InChIInChI=1S/C15H29NO2/c1-2-15(18)16-13-11-9-7-5-3-4-6-8-10-12-14-17/h2,17H,1,3-14H2,(H,16,18)
InChIKeyYMIWDJFVVNTIHH-UHFFFAOYSA-N
MW255.40 g/mol
LogP3.18
Rot. Bonds13

About N-(12-hydroxydodecyl)prop-2-enamide

N-(12-hydroxydodecyl)prop-2-enamide (PubChem CID 140604622) has the molecular formula C15H29NO2 and a molecular weight of 255.40 g/mol. Its IUPAC name is N-(12-hydroxydodecyl)prop-2-enamide.

Molecular Properties

Compound NameN-(12-hydroxydodecyl)prop-2-enamide
PubChem CID140604622
Molecular FormulaC15H29NO2
Molecular Weight255.40 g/mol
Exact Mass255.22
IUPAC NameN-(12-hydroxydodecyl)prop-2-enamide
SMILESC=CC(=O)NCCCCCCCCCCCCO
InChIInChI=1S/C15H29NO2/c1-2-15(18)16-13-11-9-7-5-3-4-6-8-10-12-14-17/h2,17H,1,3-14H2,(H,16,18)
InChIKeyYMIWDJFVVNTIHH-UHFFFAOYSA-N
XLogP3.18
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds13
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': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(12-hydroxydodecyl)prop-2-enamide?
The IUPAC name of N-(12-hydroxydodecyl)prop-2-enamide (CID 140604622) is N-(12-hydroxydodecyl)prop-2-enamide.
What is the SMILES notation for N-(12-hydroxydodecyl)prop-2-enamide?
The canonical SMILES for N-(12-hydroxydodecyl)prop-2-enamide is C=CC(=O)NCCCCCCCCCCCCO.
What is the InChIKey of N-(12-hydroxydodecyl)prop-2-enamide?
The InChIKey is YMIWDJFVVNTIHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO2/c1-2-15(18)16-13-11-9-7-5-3-4-6-8-10-12-14-17/h2,17H,1,3-14H2,(H,16,18).
What are the key properties of N-(12-hydroxydodecyl)prop-2-enamide?
N-(12-hydroxydodecyl)prop-2-enamide has a molecular weight of 255.40 g/mol, XLogP of 3.18, 13 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(12-hydroxydodecyl)prop-2-enamide is sourced from PubChem (CID 140604622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).