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

C15H21NO2 — CID 11651707

IUPAC(E,2S)-N-tert-butyl-2-hydroxy-3-methyl-4-phenylbut-3-enamide
SMILESC/C(=C\c1ccccc1)[C@H](O)C(=O)NC(C)(C)C
InChIInChI=1S/C15H21NO2/c1-11(10-12-8-6-5-7-9-12)13(17)14(18)16-15(2,3)4/h5-10,13,17H,1-4H3,(H,16,18)/b11-10+/t13-/m0/s1
InChIKeyGBFVDYWZXVEWRT-NHAQELONSA-N
MW247.34 g/mol
LogP2.37
Rot. Bonds3

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

(E,2S)-N-tert-butyl-2-hydroxy-3-methyl-4-phenylbut-3-enamide (PubChem CID 11651707) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is (E,2S)-N-tert-butyl-2-hydroxy-3-methyl-4-phenylbut-3-enamide.

Molecular Properties

Compound Name(E,2S)-N-tert-butyl-2-hydroxy-3-methyl-4-phenylbut-3-enamide
PubChem CID11651707
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name(E,2S)-N-tert-butyl-2-hydroxy-3-methyl-4-phenylbut-3-enamide
SMILESC/C(=C\c1ccccc1)[C@H](O)C(=O)NC(C)(C)C
InChIInChI=1S/C15H21NO2/c1-11(10-12-8-6-5-7-9-12)13(17)14(18)16-15(2,3)4/h5-10,13,17H,1-4H3,(H,16,18)/b11-10+/t13-/m0/s1
InChIKeyGBFVDYWZXVEWRT-NHAQELONSA-N
XLogP2.37
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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]hexanamide
CID 10661263
N-[(E,2S,3R)-1,3-dihydroxy-5-phenylpent-4-en-2-yl]acetamide
CID 10752241
N-[(E,2S,3S)-1,3-dihydroxy-5-phenylpent-4-en-2-yl]hexanamide
CID 10779936
(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
N-tert-butyl-2-hydroxy-2-phenylacetamide
CID 10420557

Frequently Asked Questions

What is the IUPAC name of (E,2S)-N-tert-butyl-2-hydroxy-3-methyl-4-phenylbut-3-enamide?
The IUPAC name of (E,2S)-N-tert-butyl-2-hydroxy-3-methyl-4-phenylbut-3-enamide (CID 11651707) is (E,2S)-N-tert-butyl-2-hydroxy-3-methyl-4-phenylbut-3-enamide.
What is the SMILES notation for (E,2S)-N-tert-butyl-2-hydroxy-3-methyl-4-phenylbut-3-enamide?
The canonical SMILES for (E,2S)-N-tert-butyl-2-hydroxy-3-methyl-4-phenylbut-3-enamide is C/C(=C\c1ccccc1)[C@H](O)C(=O)NC(C)(C)C.
What is the InChIKey of (E,2S)-N-tert-butyl-2-hydroxy-3-methyl-4-phenylbut-3-enamide?
The InChIKey is GBFVDYWZXVEWRT-NHAQELONSA-N. The full InChI is InChI=1S/C15H21NO2/c1-11(10-12-8-6-5-7-9-12)13(17)14(18)16-15(2,3)4/h5-10,13,17H,1-4H3,(H,16,18)/b11-10+/t13-/m0/s1.
What are the key properties of (E,2S)-N-tert-butyl-2-hydroxy-3-methyl-4-phenylbut-3-enamide?
(E,2S)-N-tert-butyl-2-hydroxy-3-methyl-4-phenylbut-3-enamide has a molecular weight of 247.34 g/mol, XLogP of 2.37, 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-3-methyl-4-phenylbut-3-enamide is sourced from PubChem (CID 11651707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).