2-butyl-5-phenylnon-2-enamide

C19H29NO — CID 140694803

IUPAC2-butyl-5-phenylnon-2-enamide
SMILESCCCCC(=CCC(CCCC)c1ccccc1)C(N)=O
InChIInChI=1S/C19H29NO/c1-3-5-10-17(16-12-8-7-9-13-16)14-15-18(19(20)21)11-6-4-2/h7-9,12-13,15,17H,3-6,10-11,14H2,1-2H3,(H2,20,21)
InChIKeyTXIOBIQXDVHSHN-UHFFFAOYSA-N
MW287.45 g/mol
LogP4.95
Rot. Bonds10

About 2-butyl-5-phenylnon-2-enamide

2-butyl-5-phenylnon-2-enamide (PubChem CID 140694803) has the molecular formula C19H29NO and a molecular weight of 287.45 g/mol. Its IUPAC name is 2-butyl-5-phenylnon-2-enamide.

Molecular Properties

Compound Name2-butyl-5-phenylnon-2-enamide
PubChem CID140694803
Molecular FormulaC19H29NO
Molecular Weight287.45 g/mol
Exact Mass287.22
IUPAC Name2-butyl-5-phenylnon-2-enamide
SMILESCCCCC(=CCC(CCCC)c1ccccc1)C(N)=O
InChIInChI=1S/C19H29NO/c1-3-5-10-17(16-12-8-7-9-13-16)14-15-18(19(20)21)11-6-4-2/h7-9,12-13,15,17H,3-6,10-11,14H2,1-2H3,(H2,20,21)
InChIKeyTXIOBIQXDVHSHN-UHFFFAOYSA-N
XLogP4.95
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-butyl-6-phenyloct-2-enamide
CID 140694799
3-phenylheptanamide
CID 91447364
3-phenylheptanal
CID 10954355
oct-1-en-4-ylbenzene
CID 22247233
10-phenyltetradecan-5-ylbenzene
CID 22891787
11-phenyloctadecanoic acid
CID 101320092
4-phenyldodecanoic acid
CID 67722235
2-benzylideneicosanamide
CID 167436455
6-phenyloctadecanoic acid
CID 56981512
2-phenylpentyl pentanoate
CID 101292559
calcium bis(14-phenyloctadecanoate)
CID 101320116
heptan-3-ylbenzene;methane
CID 159006232

Frequently Asked Questions

What is the IUPAC name of 2-butyl-5-phenylnon-2-enamide?
The IUPAC name of 2-butyl-5-phenylnon-2-enamide (CID 140694803) is 2-butyl-5-phenylnon-2-enamide.
What is the SMILES notation for 2-butyl-5-phenylnon-2-enamide?
The canonical SMILES for 2-butyl-5-phenylnon-2-enamide is CCCCC(=CCC(CCCC)c1ccccc1)C(N)=O.
What is the InChIKey of 2-butyl-5-phenylnon-2-enamide?
The InChIKey is TXIOBIQXDVHSHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO/c1-3-5-10-17(16-12-8-7-9-13-16)14-15-18(19(20)21)11-6-4-2/h7-9,12-13,15,17H,3-6,10-11,14H2,1-2H3,(H2,20,21).
What are the key properties of 2-butyl-5-phenylnon-2-enamide?
2-butyl-5-phenylnon-2-enamide has a molecular weight of 287.45 g/mol, XLogP of 4.95, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-5-phenylnon-2-enamide is sourced from PubChem (CID 140694803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).