N-butyl-N-dodecylprop-2-enamide

C19H37NO — CID 19021899

IUPACN-butyl-N-dodecylprop-2-enamide
SMILESC=CC(=O)N(CCCC)CCCCCCCCCCCC
InChIInChI=1S/C19H37NO/c1-4-7-9-10-11-12-13-14-15-16-18-20(17-8-5-2)19(21)6-3/h6H,3-5,7-18H2,1-2H3
InChIKeyFRPDUHFLNQULDW-UHFFFAOYSA-N
MW295.51 g/mol
LogP5.72
Rot. Bonds15

About N-butyl-N-dodecylprop-2-enamide

N-butyl-N-dodecylprop-2-enamide (PubChem CID 19021899) has the molecular formula C19H37NO and a molecular weight of 295.51 g/mol. Its IUPAC name is N-butyl-N-dodecylprop-2-enamide.

Molecular Properties

Compound NameN-butyl-N-dodecylprop-2-enamide
PubChem CID19021899
Molecular FormulaC19H37NO
Molecular Weight295.51 g/mol
Exact Mass295.29
IUPAC NameN-butyl-N-dodecylprop-2-enamide
SMILESC=CC(=O)N(CCCC)CCCCCCCCCCCC
InChIInChI=1S/C19H37NO/c1-4-7-9-10-11-12-13-14-15-16-18-20(17-8-5-2)19(21)6-3/h6H,3-5,7-18H2,1-2H3
InChIKeyFRPDUHFLNQULDW-UHFFFAOYSA-N
XLogP5.72
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500295.51
LogP ≤ 55.72
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-butyl-N-dodecylprop-2-enamide?
The IUPAC name of N-butyl-N-dodecylprop-2-enamide (CID 19021899) is N-butyl-N-dodecylprop-2-enamide.
What is the SMILES notation for N-butyl-N-dodecylprop-2-enamide?
The canonical SMILES for N-butyl-N-dodecylprop-2-enamide is C=CC(=O)N(CCCC)CCCCCCCCCCCC.
What is the InChIKey of N-butyl-N-dodecylprop-2-enamide?
The InChIKey is FRPDUHFLNQULDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H37NO/c1-4-7-9-10-11-12-13-14-15-16-18-20(17-8-5-2)19(21)6-3/h6H,3-5,7-18H2,1-2H3.
What are the key properties of N-butyl-N-dodecylprop-2-enamide?
N-butyl-N-dodecylprop-2-enamide has a molecular weight of 295.51 g/mol, XLogP of 5.72, 15 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-dodecylprop-2-enamide is sourced from PubChem (CID 19021899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).