ethene;N-[(Z)-4-ethenylhex-4-enyl]-4-(4-methylphenyl)butanamide

C21H31NO — CID 144925838

IUPACethene;N-[(Z)-4-ethenylhex-4-enyl]-4-(4-methylphenyl)butanamide
SMILESC=C.C=C/C(=C\C)CCCNC(=O)CCCc1ccc(C)cc1
InChIInChI=1S/C19H27NO.C2H4/c1-4-17(5-2)9-7-15-20-19(21)10-6-8-18-13-11-16(3)12-14-18;1-2/h4-5,11-14H,1,6-10,15H2,2-3H3,(H,20,21);1-2H2/b17-5+;
InChIKeyXQVXTUFSZFTYPH-YAKHFBBESA-N
MW313.49 g/mol
LogP5.15
Rot. Bonds9

About ethene;N-[(Z)-4-ethenylhex-4-enyl]-4-(4-methylphenyl)butanamide

ethene;N-[(Z)-4-ethenylhex-4-enyl]-4-(4-methylphenyl)butanamide (PubChem CID 144925838) has the molecular formula C21H31NO and a molecular weight of 313.49 g/mol. Its IUPAC name is ethene;N-[(Z)-4-ethenylhex-4-enyl]-4-(4-methylphenyl)butanamide.

Molecular Properties

Compound Nameethene;N-[(Z)-4-ethenylhex-4-enyl]-4-(4-methylphenyl)butanamide
PubChem CID144925838
Molecular FormulaC21H31NO
Molecular Weight313.49 g/mol
Exact Mass313.24
IUPAC Nameethene;N-[(Z)-4-ethenylhex-4-enyl]-4-(4-methylphenyl)butanamide
SMILESC=C.C=C/C(=C\C)CCCNC(=O)CCCc1ccc(C)cc1
InChIInChI=1S/C19H27NO.C2H4/c1-4-17(5-2)9-7-15-20-19(21)10-6-8-18-13-11-16(3)12-14-18;1-2/h4-5,11-14H,1,6-10,15H2,2-3H3,(H,20,21);1-2H2/b17-5+;
InChIKeyXQVXTUFSZFTYPH-YAKHFBBESA-N
XLogP5.15
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500313.49
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-6-[4-(4-methylphenyl)butanoylamino]hexanoic acid
CID 162728509
ethane;2-methyl-6-[4-(4-methylphenyl)butanoylamino]hexanoic acid
CID 162728508
butanoic acid;N-butyl-5-(4-methylphenyl)pentanamide
CID 178048626
4-[4-(4-propylphenyl)butanoylamino]butanoic acid
CID 82224500
N-[4-(2,5-dioxopyrrol-1-yl)butyl]-4-(4-methylphenyl)butanamide
CID 58473665
N-(2,2-dimethylpropyl)-4-(4-methylphenyl)butanamide
CID 177221343
2-methyl-3-[4-(4-methylphenyl)butanoylamino]propanoic acid
CID 119236583
N-[2-(2-aminoethoxy)ethyl]-4-(4-methylphenyl)butanamide
CID 82354281
N-(2-cyclopentylethyl)-4-(4-methylphenyl)butanamide
CID 55774639
N-[3-(4-fluorophenyl)propyl]-2-(4-methylphenyl)acetamide
CID 92684324
N-(4-chlorobutyl)-3-(4-methylphenyl)propanamide
CID 106845485
N-[3-(4-chlorophenyl)propyl]-2-(4-methylphenyl)acetamide
CID 38019898

Frequently Asked Questions

What is the IUPAC name of ethene;N-[(Z)-4-ethenylhex-4-enyl]-4-(4-methylphenyl)butanamide?
The IUPAC name of ethene;N-[(Z)-4-ethenylhex-4-enyl]-4-(4-methylphenyl)butanamide (CID 144925838) is ethene;N-[(Z)-4-ethenylhex-4-enyl]-4-(4-methylphenyl)butanamide.
What is the SMILES notation for ethene;N-[(Z)-4-ethenylhex-4-enyl]-4-(4-methylphenyl)butanamide?
The canonical SMILES for ethene;N-[(Z)-4-ethenylhex-4-enyl]-4-(4-methylphenyl)butanamide is C=C.C=C/C(=C\C)CCCNC(=O)CCCc1ccc(C)cc1.
What is the InChIKey of ethene;N-[(Z)-4-ethenylhex-4-enyl]-4-(4-methylphenyl)butanamide?
The InChIKey is XQVXTUFSZFTYPH-YAKHFBBESA-N. The full InChI is InChI=1S/C19H27NO.C2H4/c1-4-17(5-2)9-7-15-20-19(21)10-6-8-18-13-11-16(3)12-14-18;1-2/h4-5,11-14H,1,6-10,15H2,2-3H3,(H,20,21);1-2H2/b17-5+;.
What are the key properties of ethene;N-[(Z)-4-ethenylhex-4-enyl]-4-(4-methylphenyl)butanamide?
ethene;N-[(Z)-4-ethenylhex-4-enyl]-4-(4-methylphenyl)butanamide has a molecular weight of 313.49 g/mol, XLogP of 5.15, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethene;N-[(Z)-4-ethenylhex-4-enyl]-4-(4-methylphenyl)butanamide is sourced from PubChem (CID 144925838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).