N-dodecyl-N-methylprop-2-enamide

C16H31NO — CID 22435548

IUPACN-dodecyl-N-methylprop-2-enamide
SMILESC=CC(=O)N(C)CCCCCCCCCCCC
InChIInChI=1S/C16H31NO/c1-4-6-7-8-9-10-11-12-13-14-15-17(3)16(18)5-2/h5H,2,4,6-15H2,1,3H3
InChIKeyCSGOAFRNKNQONI-UHFFFAOYSA-N
MW253.43 g/mol
LogP4.55
Rot. Bonds12

About N-dodecyl-N-methylprop-2-enamide

N-dodecyl-N-methylprop-2-enamide (PubChem CID 22435548) has the molecular formula C16H31NO and a molecular weight of 253.43 g/mol. Its IUPAC name is N-dodecyl-N-methylprop-2-enamide.

Molecular Properties

Compound NameN-dodecyl-N-methylprop-2-enamide
PubChem CID22435548
Molecular FormulaC16H31NO
Molecular Weight253.43 g/mol
Exact Mass253.24
IUPAC NameN-dodecyl-N-methylprop-2-enamide
SMILESC=CC(=O)N(C)CCCCCCCCCCCC
InChIInChI=1S/C16H31NO/c1-4-6-7-8-9-10-11-12-13-14-15-17(3)16(18)5-2/h5H,2,4,6-15H2,1,3H3
InChIKeyCSGOAFRNKNQONI-UHFFFAOYSA-N
XLogP4.55
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.43
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-dodecyl-N-methylprop-2-enamide?
The IUPAC name of N-dodecyl-N-methylprop-2-enamide (CID 22435548) is N-dodecyl-N-methylprop-2-enamide.
What is the SMILES notation for N-dodecyl-N-methylprop-2-enamide?
The canonical SMILES for N-dodecyl-N-methylprop-2-enamide is C=CC(=O)N(C)CCCCCCCCCCCC.
What is the InChIKey of N-dodecyl-N-methylprop-2-enamide?
The InChIKey is CSGOAFRNKNQONI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO/c1-4-6-7-8-9-10-11-12-13-14-15-17(3)16(18)5-2/h5H,2,4,6-15H2,1,3H3.
What are the key properties of N-dodecyl-N-methylprop-2-enamide?
N-dodecyl-N-methylprop-2-enamide has a molecular weight of 253.43 g/mol, XLogP of 4.55, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-dodecyl-N-methylprop-2-enamide is sourced from PubChem (CID 22435548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).