(E)-N-cyclohexyl-2-hydroxy-4-phenylbut-3-enamide

C16H21NO2 — CID 135043915

IUPAC(E)-N-cyclohexyl-2-hydroxy-4-phenylbut-3-enamide
SMILESO=C(NC1CCCCC1)C(O)/C=C/c1ccccc1
InChIInChI=1S/C16H21NO2/c18-15(12-11-13-7-3-1-4-8-13)16(19)17-14-9-5-2-6-10-14/h1,3-4,7-8,11-12,14-15,18H,2,5-6,9-10H2,(H,17,19)/b12-11+
InChIKeyBVUSRUONFSZEKJ-VAWYXSNFSA-N
MW259.35 g/mol
LogP2.51
Rot. Bonds4

About (E)-N-cyclohexyl-2-hydroxy-4-phenylbut-3-enamide

(E)-N-cyclohexyl-2-hydroxy-4-phenylbut-3-enamide (PubChem CID 135043915) has the molecular formula C16H21NO2 and a molecular weight of 259.35 g/mol. Its IUPAC name is (E)-N-cyclohexyl-2-hydroxy-4-phenylbut-3-enamide.

Molecular Properties

Compound Name(E)-N-cyclohexyl-2-hydroxy-4-phenylbut-3-enamide
PubChem CID135043915
Molecular FormulaC16H21NO2
Molecular Weight259.35 g/mol
Exact Mass259.16
IUPAC Name(E)-N-cyclohexyl-2-hydroxy-4-phenylbut-3-enamide
SMILESO=C(NC1CCCCC1)C(O)/C=C/c1ccccc1
InChIInChI=1S/C16H21NO2/c18-15(12-11-13-7-3-1-4-8-13)16(19)17-14-9-5-2-6-10-14/h1,3-4,7-8,11-12,14-15,18H,2,5-6,9-10H2,(H,17,19)/b12-11+
InChIKeyBVUSRUONFSZEKJ-VAWYXSNFSA-N
XLogP2.51
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-hydroxycyclohexyl)-2-(3-phenylpropoxy)acetamide
CID 154666019
N-benzyl-2-hydroxypropanamide
CID 223817
2-Hydroxy-n-(2-phenylethyl)propanamide
CID 223430
(R,5Z,8Z,11Z,14Z)-N-(1-hydroxypropan-2-yl)-16-phenylhexadeca-5,8,11,14-tetraenamide
CID 44563658
(R,5Z,8Z,11Z,14Z)-N-(1-hydroxypropan-2-yl)-17-phenylheptadeca-5,8,11,14-tetraenamide
CID 44563659
(R,5Z,8Z,11Z,14Z)-N-(1-hydroxypropan-2-yl)-18-phenyloctadeca-5,8,11,14-tetraenamide
CID 44563677
Acetamide, 2-hydroxy-N-(2-phenylethyl)-
CID 6480486
N-[(E,2S,3R)-1,3-dihydroxyoctadec-4-en-2-yl]-2-phenylacetamide
CID 54752735
(E)-N-[(1S,2S)-2-hydroxycyclohexyl]-3-phenylprop-2-enamide
CID 113627190
Benzenepropanamide, N,N'-(2-hydroxy-1,3-propanediyl)bis-
CID 3071718
3-Butenamide, N-(2-hydroxyethyl)-3-methyl-4-phenyl-
CID 6446031
N-[(E,2S,3R)-5-(4-fluorophenyl)-1,3-dihydroxypent-4-en-2-yl]hexanamide
CID 10518946

Frequently Asked Questions

What is the IUPAC name of (E)-N-cyclohexyl-2-hydroxy-4-phenylbut-3-enamide?
The IUPAC name of (E)-N-cyclohexyl-2-hydroxy-4-phenylbut-3-enamide (CID 135043915) is (E)-N-cyclohexyl-2-hydroxy-4-phenylbut-3-enamide.
What is the SMILES notation for (E)-N-cyclohexyl-2-hydroxy-4-phenylbut-3-enamide?
The canonical SMILES for (E)-N-cyclohexyl-2-hydroxy-4-phenylbut-3-enamide is O=C(NC1CCCCC1)C(O)/C=C/c1ccccc1.
What is the InChIKey of (E)-N-cyclohexyl-2-hydroxy-4-phenylbut-3-enamide?
The InChIKey is BVUSRUONFSZEKJ-VAWYXSNFSA-N. The full InChI is InChI=1S/C16H21NO2/c18-15(12-11-13-7-3-1-4-8-13)16(19)17-14-9-5-2-6-10-14/h1,3-4,7-8,11-12,14-15,18H,2,5-6,9-10H2,(H,17,19)/b12-11+.
What are the key properties of (E)-N-cyclohexyl-2-hydroxy-4-phenylbut-3-enamide?
(E)-N-cyclohexyl-2-hydroxy-4-phenylbut-3-enamide has a molecular weight of 259.35 g/mol, XLogP of 2.51, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-cyclohexyl-2-hydroxy-4-phenylbut-3-enamide is sourced from PubChem (CID 135043915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).