(E)-2-butan-2-yl-6-phenylhex-2-enamide

C16H23NO — CID 67977451

IUPAC(E)-2-butan-2-yl-6-phenylhex-2-enamide
SMILESCCC(C)/C(=C\CCCc1ccccc1)C(N)=O
InChIInChI=1S/C16H23NO/c1-3-13(2)15(16(17)18)12-8-7-11-14-9-5-4-6-10-14/h4-6,9-10,12-13H,3,7-8,11H2,1-2H3,(H2,17,18)/b15-12+
InChIKeyIJGPPQMGXPJJPY-NTCAYCPXSA-N
MW245.37 g/mol
LogP3.47
Rot. Bonds7

About (E)-2-butan-2-yl-6-phenylhex-2-enamide

(E)-2-butan-2-yl-6-phenylhex-2-enamide (PubChem CID 67977451) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is (E)-2-butan-2-yl-6-phenylhex-2-enamide.

Molecular Properties

Compound Name(E)-2-butan-2-yl-6-phenylhex-2-enamide
PubChem CID67977451
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC Name(E)-2-butan-2-yl-6-phenylhex-2-enamide
SMILESCCC(C)/C(=C\CCCc1ccccc1)C(N)=O
InChIInChI=1S/C16H23NO/c1-3-13(2)15(16(17)18)12-8-7-11-14-9-5-4-6-10-14/h4-6,9-10,12-13H,3,7-8,11H2,1-2H3,(H2,17,18)/b15-12+
InChIKeyIJGPPQMGXPJJPY-NTCAYCPXSA-N
XLogP3.47
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 53.47
H-Bond Donors ≤ 51
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'}

Analyze (E)-2-butan-2-yl-6-phenylhex-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2Z)-2-pentylidene-8-phenyloctanamide
CID 118453451
(2R)-2-methyl-N-(3-phenylpropyl)butanamide
CID 94018072
diethyl 2-[(E)-2-methyl-6-phenylhex-2-enyl]propanedioate
CID 15054081
ethane;formic acid;methanamine;[(3S)-3-methylpentyl]benzene
CID 154682352
N-ethyl-2-methyl-N-(2-phenylethyl)butanamide
CID 78853488
(2S)-2-amino-3-methyl-N-(3-phenylpropyl)pentanamide
CID 22690930
5,5-difluoropent-4-enylbenzene
CID 15268524
3-methyl-6-phenylhexan-2-one
CID 59396975
[(E)-5-phenylhex-4-enyl]benzene
CID 14767514
ethyl 6-phenylmethoxy-2-propan-2-ylhex-2-enoate
CID 90826355
butylbenzene;carbonic acid
CID 158278492
(E)-2-methyl-8-phenyloct-2-enoic acid
CID 66912442

Frequently Asked Questions

What is the IUPAC name of (E)-2-butan-2-yl-6-phenylhex-2-enamide?
The IUPAC name of (E)-2-butan-2-yl-6-phenylhex-2-enamide (CID 67977451) is (E)-2-butan-2-yl-6-phenylhex-2-enamide.
What is the SMILES notation for (E)-2-butan-2-yl-6-phenylhex-2-enamide?
The canonical SMILES for (E)-2-butan-2-yl-6-phenylhex-2-enamide is CCC(C)/C(=C\CCCc1ccccc1)C(N)=O.
What is the InChIKey of (E)-2-butan-2-yl-6-phenylhex-2-enamide?
The InChIKey is IJGPPQMGXPJJPY-NTCAYCPXSA-N. The full InChI is InChI=1S/C16H23NO/c1-3-13(2)15(16(17)18)12-8-7-11-14-9-5-4-6-10-14/h4-6,9-10,12-13H,3,7-8,11H2,1-2H3,(H2,17,18)/b15-12+.
What are the key properties of (E)-2-butan-2-yl-6-phenylhex-2-enamide?
(E)-2-butan-2-yl-6-phenylhex-2-enamide has a molecular weight of 245.37 g/mol, XLogP of 3.47, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-butan-2-yl-6-phenylhex-2-enamide is sourced from PubChem (CID 67977451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).