N-(11-hydroxyundecyl)-N-methylprop-2-enamide

C15H29NO2 — CID 86680882

IUPACN-(11-hydroxyundecyl)-N-methylprop-2-enamide
SMILESC=CC(=O)N(C)CCCCCCCCCCCO
InChIInChI=1S/C15H29NO2/c1-3-15(18)16(2)13-11-9-7-5-4-6-8-10-12-14-17/h3,17H,1,4-14H2,2H3
InChIKeyIQZZTPJPSOEFPD-UHFFFAOYSA-N
MW255.40 g/mol
LogP3.13
Rot. Bonds12

About N-(11-hydroxyundecyl)-N-methylprop-2-enamide

N-(11-hydroxyundecyl)-N-methylprop-2-enamide (PubChem CID 86680882) has the molecular formula C15H29NO2 and a molecular weight of 255.40 g/mol. Its IUPAC name is N-(11-hydroxyundecyl)-N-methylprop-2-enamide.

Molecular Properties

Compound NameN-(11-hydroxyundecyl)-N-methylprop-2-enamide
PubChem CID86680882
Molecular FormulaC15H29NO2
Molecular Weight255.40 g/mol
Exact Mass255.22
IUPAC NameN-(11-hydroxyundecyl)-N-methylprop-2-enamide
SMILESC=CC(=O)N(C)CCCCCCCCCCCO
InChIInChI=1S/C15H29NO2/c1-3-15(18)16(2)13-11-9-7-5-4-6-8-10-12-14-17/h3,17H,1,4-14H2,2H3
InChIKeyIQZZTPJPSOEFPD-UHFFFAOYSA-N
XLogP3.13
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.40
LogP ≤ 53.13
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'}

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Frequently Asked Questions

What is the IUPAC name of N-(11-hydroxyundecyl)-N-methylprop-2-enamide?
The IUPAC name of N-(11-hydroxyundecyl)-N-methylprop-2-enamide (CID 86680882) is N-(11-hydroxyundecyl)-N-methylprop-2-enamide.
What is the SMILES notation for N-(11-hydroxyundecyl)-N-methylprop-2-enamide?
The canonical SMILES for N-(11-hydroxyundecyl)-N-methylprop-2-enamide is C=CC(=O)N(C)CCCCCCCCCCCO.
What is the InChIKey of N-(11-hydroxyundecyl)-N-methylprop-2-enamide?
The InChIKey is IQZZTPJPSOEFPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO2/c1-3-15(18)16(2)13-11-9-7-5-4-6-8-10-12-14-17/h3,17H,1,4-14H2,2H3.
What are the key properties of N-(11-hydroxyundecyl)-N-methylprop-2-enamide?
N-(11-hydroxyundecyl)-N-methylprop-2-enamide has a molecular weight of 255.40 g/mol, XLogP of 3.13, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(11-hydroxyundecyl)-N-methylprop-2-enamide is sourced from PubChem (CID 86680882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).