N-but-2-en-2-yltetradecanamide

C18H35NO — CID 151354769

IUPACN-but-2-en-2-yltetradecanamide
SMILESCC=C(C)NC(=O)CCCCCCCCCCCCC
InChIInChI=1S/C18H35NO/c1-4-6-7-8-9-10-11-12-13-14-15-16-18(20)19-17(3)5-2/h5H,4,6-16H2,1-3H3,(H,19,20)
InChIKeyONFZRGBDFUCQNO-UHFFFAOYSA-N
MW281.48 g/mol
LogP5.73
Rot. Bonds13

About N-but-2-en-2-yltetradecanamide

N-but-2-en-2-yltetradecanamide (PubChem CID 151354769) has the molecular formula C18H35NO and a molecular weight of 281.48 g/mol. Its IUPAC name is N-but-2-en-2-yltetradecanamide.

Molecular Properties

Compound NameN-but-2-en-2-yltetradecanamide
PubChem CID151354769
Molecular FormulaC18H35NO
Molecular Weight281.48 g/mol
Exact Mass281.27
IUPAC NameN-but-2-en-2-yltetradecanamide
SMILESCC=C(C)NC(=O)CCCCCCCCCCCCC
InChIInChI=1S/C18H35NO/c1-4-6-7-8-9-10-11-12-13-14-15-16-18(20)19-17(3)5-2/h5H,4,6-16H2,1-3H3,(H,19,20)
InChIKeyONFZRGBDFUCQNO-UHFFFAOYSA-N
XLogP5.73
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500281.48
LogP ≤ 55.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-but-2-en-2-yltetradecanamide?
The IUPAC name of N-but-2-en-2-yltetradecanamide (CID 151354769) is N-but-2-en-2-yltetradecanamide.
What is the SMILES notation for N-but-2-en-2-yltetradecanamide?
The canonical SMILES for N-but-2-en-2-yltetradecanamide is CC=C(C)NC(=O)CCCCCCCCCCCCC.
What is the InChIKey of N-but-2-en-2-yltetradecanamide?
The InChIKey is ONFZRGBDFUCQNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35NO/c1-4-6-7-8-9-10-11-12-13-14-15-16-18(20)19-17(3)5-2/h5H,4,6-16H2,1-3H3,(H,19,20).
What are the key properties of N-but-2-en-2-yltetradecanamide?
N-but-2-en-2-yltetradecanamide has a molecular weight of 281.48 g/mol, XLogP of 5.73, 13 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-but-2-en-2-yltetradecanamide is sourced from PubChem (CID 151354769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).