(E)-2-hydroxy-4-phenyl-N-(2,4,4-trimethylhexan-2-yl)but-3-enamide

C19H29NO2 — CID 135004656

IUPAC(E)-2-hydroxy-4-phenyl-N-(2,4,4-trimethylhexan-2-yl)but-3-enamide
SMILESCCC(C)(C)CC(C)(C)NC(=O)C(O)/C=C/c1ccccc1
InChIInChI=1S/C19H29NO2/c1-6-18(2,3)14-19(4,5)20-17(22)16(21)13-12-15-10-8-7-9-11-15/h7-13,16,21H,6,14H2,1-5H3,(H,20,22)/b13-12+
InChIKeyPJKMIBDZZHCWNO-OUKQBFOZSA-N
MW303.45 g/mol
LogP3.78
Rot. Bonds7

About (E)-2-hydroxy-4-phenyl-N-(2,4,4-trimethylhexan-2-yl)but-3-enamide

(E)-2-hydroxy-4-phenyl-N-(2,4,4-trimethylhexan-2-yl)but-3-enamide (PubChem CID 135004656) has the molecular formula C19H29NO2 and a molecular weight of 303.45 g/mol. Its IUPAC name is (E)-2-hydroxy-4-phenyl-N-(2,4,4-trimethylhexan-2-yl)but-3-enamide.

Molecular Properties

Compound Name(E)-2-hydroxy-4-phenyl-N-(2,4,4-trimethylhexan-2-yl)but-3-enamide
PubChem CID135004656
Molecular FormulaC19H29NO2
Molecular Weight303.45 g/mol
Exact Mass303.22
IUPAC Name(E)-2-hydroxy-4-phenyl-N-(2,4,4-trimethylhexan-2-yl)but-3-enamide
SMILESCCC(C)(C)CC(C)(C)NC(=O)C(O)/C=C/c1ccccc1
InChIInChI=1S/C19H29NO2/c1-6-18(2,3)14-19(4,5)20-17(22)16(21)13-12-15-10-8-7-9-11-15/h7-13,16,21H,6,14H2,1-5H3,(H,20,22)/b13-12+
InChIKeyPJKMIBDZZHCWNO-OUKQBFOZSA-N
XLogP3.78
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.45
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(E)-N-tert-butyl-2-hydroxy-4-phenylbut-3-enamide
CID 11276349
(E,2S)-N-tert-butyl-2-hydroxy-4-[4-(trifluoromethyl)phenyl]but-3-enamide
CID 138982397
(E,2S)-N-tert-butyl-4-(2-fluorophenyl)-2-hydroxybut-3-enamide
CID 138982597
(E,2S)-N-tert-butyl-4-(4-fluorophenyl)-2-hydroxybut-3-enamide
CID 138982598
(E,2S)-N-tert-butyl-4-(3-fluorophenyl)-2-hydroxybut-3-enamide
CID 138982786
(E)-N-tert-butyl-2-hydroxy-3-methyl-4-phenylbut-3-enamide
CID 101254347
N-(1-hydroxy-2-methylpropan-2-yl)-4-methyl-4-phenylpentanamide
CID 86783585
(E,2S)-N-tert-butyl-2-hydroxy-4-phenylbut-3-enamide
CID 11608331
(E)-N-tert-butyl-4-phenyl-2-propan-2-yloxybut-3-enamide
CID 42643082
(E,2R)-2-hydroxy-4-phenyl-N,N-di(propan-2-yl)but-3-enamide
CID 134917851
5-(hydroxymethyl)-3,3-dimethyl-4-(2-phenylethynyl)-1H-pyrrol-2-one
CID 135017952
(E)-N-cyclohexyl-2-hydroxy-4-phenylbut-3-enamide
CID 135043915

Frequently Asked Questions

What is the IUPAC name of (E)-2-hydroxy-4-phenyl-N-(2,4,4-trimethylhexan-2-yl)but-3-enamide?
The IUPAC name of (E)-2-hydroxy-4-phenyl-N-(2,4,4-trimethylhexan-2-yl)but-3-enamide (CID 135004656) is (E)-2-hydroxy-4-phenyl-N-(2,4,4-trimethylhexan-2-yl)but-3-enamide.
What is the SMILES notation for (E)-2-hydroxy-4-phenyl-N-(2,4,4-trimethylhexan-2-yl)but-3-enamide?
The canonical SMILES for (E)-2-hydroxy-4-phenyl-N-(2,4,4-trimethylhexan-2-yl)but-3-enamide is CCC(C)(C)CC(C)(C)NC(=O)C(O)/C=C/c1ccccc1.
What is the InChIKey of (E)-2-hydroxy-4-phenyl-N-(2,4,4-trimethylhexan-2-yl)but-3-enamide?
The InChIKey is PJKMIBDZZHCWNO-OUKQBFOZSA-N. The full InChI is InChI=1S/C19H29NO2/c1-6-18(2,3)14-19(4,5)20-17(22)16(21)13-12-15-10-8-7-9-11-15/h7-13,16,21H,6,14H2,1-5H3,(H,20,22)/b13-12+.
What are the key properties of (E)-2-hydroxy-4-phenyl-N-(2,4,4-trimethylhexan-2-yl)but-3-enamide?
(E)-2-hydroxy-4-phenyl-N-(2,4,4-trimethylhexan-2-yl)but-3-enamide has a molecular weight of 303.45 g/mol, XLogP of 3.78, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-hydroxy-4-phenyl-N-(2,4,4-trimethylhexan-2-yl)but-3-enamide is sourced from PubChem (CID 135004656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).