3-hydroxy-3,5-dimethyl-N-phenylhex-5-enamide

C14H19NO2 — CID 15681099

IUPAC3-hydroxy-3,5-dimethyl-N-phenylhex-5-enamide
SMILESC=C(C)CC(C)(O)CC(=O)Nc1ccccc1
InChIInChI=1S/C14H19NO2/c1-11(2)9-14(3,17)10-13(16)15-12-7-5-4-6-8-12/h4-8,17H,1,9-10H2,2-3H3,(H,15,16)
InChIKeyBYJUQDVUPQSNJS-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.73
Rot. Bonds5

About 3-hydroxy-3,5-dimethyl-N-phenylhex-5-enamide

3-hydroxy-3,5-dimethyl-N-phenylhex-5-enamide (PubChem CID 15681099) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is 3-hydroxy-3,5-dimethyl-N-phenylhex-5-enamide.

Molecular Properties

Compound Name3-hydroxy-3,5-dimethyl-N-phenylhex-5-enamide
PubChem CID15681099
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name3-hydroxy-3,5-dimethyl-N-phenylhex-5-enamide
SMILESC=C(C)CC(C)(O)CC(=O)Nc1ccccc1
InChIInChI=1S/C14H19NO2/c1-11(2)9-14(3,17)10-13(16)15-12-7-5-4-6-8-12/h4-8,17H,1,9-10H2,2-3H3,(H,15,16)
InChIKeyBYJUQDVUPQSNJS-UHFFFAOYSA-N
XLogP2.73
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3,3-difluoro-N-phenylbutanamide
CID 131059355
4-anilino-2,2-dihydroxy-4-oxobutanoic acid
CID 141316230
4-hydroxy-4-methyl-N-phenylpentanamide
CID 564630
3-oxo-N-phenylbutanamide
CID 161275903
4-methyl-2-methylidene-N-phenylpent-4-enamide
CID 53236011
acetic acid;3-oxo-N-phenylbutanamide
CID 160598921
N'-(4-tert-butylphenyl)-N-phenylpropanediamide
CID 108952831
3,3-dimethyl-4-nitro-N-phenylbutanamide
CID 54404387
1-(1,3-dihydroxy-2-methylpropan-2-yl)-3-phenylurea
CID 4056614
2,2,3-trideuterio-N-phenylpropanamide
CID 71772190
2,2-dimethyl-4-[3-(2-methylprop-2-enoxy)anilino]-4-oxobutanoic acid
CID 119133786
ethane;methane;N-phenylpropanamide
CID 159778408

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-3,5-dimethyl-N-phenylhex-5-enamide?
The IUPAC name of 3-hydroxy-3,5-dimethyl-N-phenylhex-5-enamide (CID 15681099) is 3-hydroxy-3,5-dimethyl-N-phenylhex-5-enamide.
What is the SMILES notation for 3-hydroxy-3,5-dimethyl-N-phenylhex-5-enamide?
The canonical SMILES for 3-hydroxy-3,5-dimethyl-N-phenylhex-5-enamide is C=C(C)CC(C)(O)CC(=O)Nc1ccccc1.
What is the InChIKey of 3-hydroxy-3,5-dimethyl-N-phenylhex-5-enamide?
The InChIKey is BYJUQDVUPQSNJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-11(2)9-14(3,17)10-13(16)15-12-7-5-4-6-8-12/h4-8,17H,1,9-10H2,2-3H3,(H,15,16).
What are the key properties of 3-hydroxy-3,5-dimethyl-N-phenylhex-5-enamide?
3-hydroxy-3,5-dimethyl-N-phenylhex-5-enamide has a molecular weight of 233.31 g/mol, XLogP of 2.73, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-3,5-dimethyl-N-phenylhex-5-enamide is sourced from PubChem (CID 15681099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).