N-dodecyl-N-ethylprop-2-enamide

C17H33NO — CID 19021903

IUPACN-dodecyl-N-ethylprop-2-enamide
SMILESC=CC(=O)N(CC)CCCCCCCCCCCC
InChIInChI=1S/C17H33NO/c1-4-7-8-9-10-11-12-13-14-15-16-18(6-3)17(19)5-2/h5H,2,4,6-16H2,1,3H3
InChIKeyCKZGUNURVPANST-UHFFFAOYSA-N
MW267.46 g/mol
LogP4.94
Rot. Bonds13

About N-dodecyl-N-ethylprop-2-enamide

N-dodecyl-N-ethylprop-2-enamide (PubChem CID 19021903) has the molecular formula C17H33NO and a molecular weight of 267.46 g/mol. Its IUPAC name is N-dodecyl-N-ethylprop-2-enamide.

Molecular Properties

Compound NameN-dodecyl-N-ethylprop-2-enamide
PubChem CID19021903
Molecular FormulaC17H33NO
Molecular Weight267.46 g/mol
Exact Mass267.26
IUPAC NameN-dodecyl-N-ethylprop-2-enamide
SMILESC=CC(=O)N(CC)CCCCCCCCCCCC
InChIInChI=1S/C17H33NO/c1-4-7-8-9-10-11-12-13-14-15-16-18(6-3)17(19)5-2/h5H,2,4,6-16H2,1,3H3
InChIKeyCKZGUNURVPANST-UHFFFAOYSA-N
XLogP4.94
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.46
LogP ≤ 54.94
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-ethylprop-2-enamide?
The IUPAC name of N-dodecyl-N-ethylprop-2-enamide (CID 19021903) is N-dodecyl-N-ethylprop-2-enamide.
What is the SMILES notation for N-dodecyl-N-ethylprop-2-enamide?
The canonical SMILES for N-dodecyl-N-ethylprop-2-enamide is C=CC(=O)N(CC)CCCCCCCCCCCC.
What is the InChIKey of N-dodecyl-N-ethylprop-2-enamide?
The InChIKey is CKZGUNURVPANST-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33NO/c1-4-7-8-9-10-11-12-13-14-15-16-18(6-3)17(19)5-2/h5H,2,4,6-16H2,1,3H3.
What are the key properties of N-dodecyl-N-ethylprop-2-enamide?
N-dodecyl-N-ethylprop-2-enamide has a molecular weight of 267.46 g/mol, XLogP of 4.94, 13 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-dodecyl-N-ethylprop-2-enamide is sourced from PubChem (CID 19021903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).