N,N-dioctylbut-2-enamide

C20H39NO — CID 54431565

IUPACN,N-dioctylbut-2-enamide
SMILESCC=CC(=O)N(CCCCCCCC)CCCCCCCC
InChIInChI=1S/C20H39NO/c1-4-7-9-11-13-15-18-21(20(22)17-6-3)19-16-14-12-10-8-5-2/h6,17H,4-5,7-16,18-19H2,1-3H3
InChIKeyWHVMLLYEONLOTA-UHFFFAOYSA-N
MW309.54 g/mol
LogP6.11
Rot. Bonds15

About N,N-dioctylbut-2-enamide

N,N-dioctylbut-2-enamide (PubChem CID 54431565) has the molecular formula C20H39NO and a molecular weight of 309.54 g/mol. Its IUPAC name is N,N-dioctylbut-2-enamide.

Molecular Properties

Compound NameN,N-dioctylbut-2-enamide
PubChem CID54431565
Molecular FormulaC20H39NO
Molecular Weight309.54 g/mol
Exact Mass309.30
IUPAC NameN,N-dioctylbut-2-enamide
SMILESCC=CC(=O)N(CCCCCCCC)CCCCCCCC
InChIInChI=1S/C20H39NO/c1-4-7-9-11-13-15-18-21(20(22)17-6-3)19-16-14-12-10-8-5-2/h6,17H,4-5,7-16,18-19H2,1-3H3
InChIKeyWHVMLLYEONLOTA-UHFFFAOYSA-N
XLogP6.11
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500309.54
LogP ≤ 56.11
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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Related Compounds

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CID 12575258
N-Oleylmaleimide
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Octyl Maleimide
CID 512829
Cyano-myracrylamide
CID 167312180
N-Nonylmaleimide
CID 512831
1-Hexadecylpyrrole-2,5-dione
CID 4526314
1-[(E)-2-Tetradecenoyl]piperidine
CID 91715829
1-[(E)-2-Eicosenoyl]piperidine
CID 91715953
N-decyl maleimide
CID 512830
1H-Pyrrole-2,5-dione, 1-dodecyl-
CID 87191
1-octadecyl-1H-pyrrole-2,5-dione
CID 87118

Frequently Asked Questions

What is the IUPAC name of N,N-dioctylbut-2-enamide?
The IUPAC name of N,N-dioctylbut-2-enamide (CID 54431565) is N,N-dioctylbut-2-enamide.
What is the SMILES notation for N,N-dioctylbut-2-enamide?
The canonical SMILES for N,N-dioctylbut-2-enamide is CC=CC(=O)N(CCCCCCCC)CCCCCCCC.
What is the InChIKey of N,N-dioctylbut-2-enamide?
The InChIKey is WHVMLLYEONLOTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H39NO/c1-4-7-9-11-13-15-18-21(20(22)17-6-3)19-16-14-12-10-8-5-2/h6,17H,4-5,7-16,18-19H2,1-3H3.
What are the key properties of N,N-dioctylbut-2-enamide?
N,N-dioctylbut-2-enamide has a molecular weight of 309.54 g/mol, XLogP of 6.11, 15 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dioctylbut-2-enamide is sourced from PubChem (CID 54431565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).