(E,2S)-N-tert-butyl-2-hydroxy-4-phenylbut-3-enamide

C14H19NO2 — CID 11608331

IUPAC(E,2S)-N-tert-butyl-2-hydroxy-4-phenylbut-3-enamide
SMILESCC(C)(C)NC(=O)[C@@H](O)/C=C/c1ccccc1
InChIInChI=1S/C14H19NO2/c1-14(2,3)15-13(17)12(16)10-9-11-7-5-4-6-8-11/h4-10,12,16H,1-3H3,(H,15,17)/b10-9+/t12-/m0/s1
InChIKeySVCFGEWAVJROTB-VMPCVLLUSA-N
MW233.31 g/mol
LogP1.98
Rot. Bonds3

About (E,2S)-N-tert-butyl-2-hydroxy-4-phenylbut-3-enamide

(E,2S)-N-tert-butyl-2-hydroxy-4-phenylbut-3-enamide (PubChem CID 11608331) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is (E,2S)-N-tert-butyl-2-hydroxy-4-phenylbut-3-enamide.

Molecular Properties

Compound Name(E,2S)-N-tert-butyl-2-hydroxy-4-phenylbut-3-enamide
PubChem CID11608331
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name(E,2S)-N-tert-butyl-2-hydroxy-4-phenylbut-3-enamide
SMILESCC(C)(C)NC(=O)[C@@H](O)/C=C/c1ccccc1
InChIInChI=1S/C14H19NO2/c1-14(2,3)15-13(17)12(16)10-9-11-7-5-4-6-8-11/h4-10,12,16H,1-3H3,(H,15,17)/b10-9+/t12-/m0/s1
InChIKeySVCFGEWAVJROTB-VMPCVLLUSA-N
XLogP1.98
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

Cinnamamide, N-(1,1-dimethyl-2-hydroxyethyl)-
CID 6434080
N-[(E,2S,3R)-1,3-dihydroxy-5-phenylpent-4-en-2-yl]butanamide
CID 10539494
N-[(E,2S,3R)-1,3-dihydroxy-5-phenylpent-4-en-2-yl]acetamide
CID 10752241
(E)-N-tert-butyl-2-hydroxy-4-phenylbut-3-enamide
CID 11276349
N-tert-butyl-2-hydroxy-4-phenylbutanamide
CID 72998744
(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
(2S)-N-tert-butyl-2-hydroxy-4-phenylbutanamide
CID 11535992
(E)-N-tert-butyl-4-phenyl-2-propan-2-yloxybut-3-enamide
CID 42643082

Frequently Asked Questions

What is the IUPAC name of (E,2S)-N-tert-butyl-2-hydroxy-4-phenylbut-3-enamide?
The IUPAC name of (E,2S)-N-tert-butyl-2-hydroxy-4-phenylbut-3-enamide (CID 11608331) is (E,2S)-N-tert-butyl-2-hydroxy-4-phenylbut-3-enamide.
What is the SMILES notation for (E,2S)-N-tert-butyl-2-hydroxy-4-phenylbut-3-enamide?
The canonical SMILES for (E,2S)-N-tert-butyl-2-hydroxy-4-phenylbut-3-enamide is CC(C)(C)NC(=O)[C@@H](O)/C=C/c1ccccc1.
What is the InChIKey of (E,2S)-N-tert-butyl-2-hydroxy-4-phenylbut-3-enamide?
The InChIKey is SVCFGEWAVJROTB-VMPCVLLUSA-N. The full InChI is InChI=1S/C14H19NO2/c1-14(2,3)15-13(17)12(16)10-9-11-7-5-4-6-8-11/h4-10,12,16H,1-3H3,(H,15,17)/b10-9+/t12-/m0/s1.
What are the key properties of (E,2S)-N-tert-butyl-2-hydroxy-4-phenylbut-3-enamide?
(E,2S)-N-tert-butyl-2-hydroxy-4-phenylbut-3-enamide has a molecular weight of 233.31 g/mol, XLogP of 1.98, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E,2S)-N-tert-butyl-2-hydroxy-4-phenylbut-3-enamide is sourced from PubChem (CID 11608331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).