N-(2-methylnona-2,6-dienyl)-N-prop-2-enylacetamide

C15H25NO — CID 76599914

IUPACN-(2-methylnona-2,6-dienyl)-N-prop-2-enylacetamide
SMILESC=CCN(CC(C)=CCCC=CCC)C(C)=O
InChIInChI=1S/C15H25NO/c1-5-7-8-9-10-11-14(3)13-16(12-6-2)15(4)17/h6-8,11H,2,5,9-10,12-13H2,1,3-4H3
InChIKeyOIURWTDNFKPZND-UHFFFAOYSA-N
MW235.37 g/mol
LogP3.71
Rot. Bonds8

About N-(2-methylnona-2,6-dienyl)-N-prop-2-enylacetamide

N-(2-methylnona-2,6-dienyl)-N-prop-2-enylacetamide (PubChem CID 76599914) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is N-(2-methylnona-2,6-dienyl)-N-prop-2-enylacetamide.

Molecular Properties

Compound NameN-(2-methylnona-2,6-dienyl)-N-prop-2-enylacetamide
PubChem CID76599914
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC NameN-(2-methylnona-2,6-dienyl)-N-prop-2-enylacetamide
SMILESC=CCN(CC(C)=CCCC=CCC)C(C)=O
InChIInChI=1S/C15H25NO/c1-5-7-8-9-10-11-14(3)13-16(12-6-2)15(4)17/h6-8,11H,2,5,9-10,12-13H2,1,3-4H3
InChIKeyOIURWTDNFKPZND-UHFFFAOYSA-N
XLogP3.71
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(2-oxoethyl)-N-prop-2-enylacetamide
CID 19738524
N-(3-chloroprop-2-enyl)-N-prop-2-enylacetamide
CID 88729564
N-(2-hydroxyethyl)-N-prop-2-enylacetamide
CID 84572947
2-[acetyl(prop-2-enyl)amino]-N-propan-2-ylacetamide
CID 113158494
(5Z,9E)-dodeca-1,5,9-triene
CID 173147853
2-[acetyl(prop-2-enyl)amino]-N-(2-methylpropyl)acetamide
CID 84571207
ethene;octa-1,5-diene
CID 175164046
N-[[(1R,2S)-2-[(Z)-hex-3-enyl]cyclopropyl]methyl]-N-prop-2-enylcyclopropanecarboxamide
CID 89174574
3-methylundeca-3,7-diene
CID 57021497
(3Z,7Z,11Z)-tetradeca-3,7,11-triene
CID 123167975
(7Z)-deca-3,7-diene
CID 173009236
N-(4-acetamidophenyl)-2-[acetyl(prop-2-enyl)amino]acetamide
CID 84570055

Frequently Asked Questions

What is the IUPAC name of N-(2-methylnona-2,6-dienyl)-N-prop-2-enylacetamide?
The IUPAC name of N-(2-methylnona-2,6-dienyl)-N-prop-2-enylacetamide (CID 76599914) is N-(2-methylnona-2,6-dienyl)-N-prop-2-enylacetamide.
What is the SMILES notation for N-(2-methylnona-2,6-dienyl)-N-prop-2-enylacetamide?
The canonical SMILES for N-(2-methylnona-2,6-dienyl)-N-prop-2-enylacetamide is C=CCN(CC(C)=CCCC=CCC)C(C)=O.
What is the InChIKey of N-(2-methylnona-2,6-dienyl)-N-prop-2-enylacetamide?
The InChIKey is OIURWTDNFKPZND-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-5-7-8-9-10-11-14(3)13-16(12-6-2)15(4)17/h6-8,11H,2,5,9-10,12-13H2,1,3-4H3.
What are the key properties of N-(2-methylnona-2,6-dienyl)-N-prop-2-enylacetamide?
N-(2-methylnona-2,6-dienyl)-N-prop-2-enylacetamide has a molecular weight of 235.37 g/mol, XLogP of 3.71, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylnona-2,6-dienyl)-N-prop-2-enylacetamide is sourced from PubChem (CID 76599914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).