(E)-N-[(2S)-1-hydroxypropan-2-yl]-3-phenylpent-2-enamide

C14H19NO2 — CID 110306939

IUPAC(E)-N-[(2S)-1-hydroxypropan-2-yl]-3-phenylpent-2-enamide
SMILESCC/C(=C\C(=O)N[C@@H](C)CO)c1ccccc1
InChIInChI=1S/C14H19NO2/c1-3-12(13-7-5-4-6-8-13)9-14(17)15-11(2)10-16/h4-9,11,16H,3,10H2,1-2H3,(H,15,17)/b12-9+/t11-/m0/s1
InChIKeyRHIHQXHSOJZNFE-UTEVDWOZSA-N
MW233.31 g/mol
LogP1.98
Rot. Bonds5

About (E)-N-[(2S)-1-hydroxypropan-2-yl]-3-phenylpent-2-enamide

(E)-N-[(2S)-1-hydroxypropan-2-yl]-3-phenylpent-2-enamide (PubChem CID 110306939) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is (E)-N-[(2S)-1-hydroxypropan-2-yl]-3-phenylpent-2-enamide.

Molecular Properties

Compound Name(E)-N-[(2S)-1-hydroxypropan-2-yl]-3-phenylpent-2-enamide
PubChem CID110306939
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name(E)-N-[(2S)-1-hydroxypropan-2-yl]-3-phenylpent-2-enamide
SMILESCC/C(=C\C(=O)N[C@@H](C)CO)c1ccccc1
InChIInChI=1S/C14H19NO2/c1-3-12(13-7-5-4-6-8-13)9-14(17)15-11(2)10-16/h4-9,11,16H,3,10H2,1-2H3,(H,15,17)/b12-9+/t11-/m0/s1
InChIKeyRHIHQXHSOJZNFE-UTEVDWOZSA-N
XLogP1.98
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 ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-N-butan-2-yl-3-(4-chlorophenyl)pent-2-enamide
CID 177444041
N-[(2S)-1-hydroxypropan-2-yl]-3-phenylprop-2-enamide
CID 79023633
(E)-N-(1-hydroxypropan-2-yl)-3-phenylprop-2-enamide
CID 6434086
(E)-2-phenyl-N-propan-2-ylbut-1-en-1-amine
CID 134526752
1-N,2-N-bis[(2R)-1-hydroxypropan-2-yl]benzene-1,2-dicarboxamide
CID 786729
(E)-N-[2-(4-fluorophenyl)-2-oxoethyl]-3-phenylpent-2-enamide
CID 110410017
N-methyl-2-[[(E)-3-phenylpent-2-enoyl]amino]benzamide
CID 110615658
N-(1-hydroxypropan-2-yl)-2,2-diphenylacetamide
CID 78856864
2-anilino-N-(1-hydroxypropan-2-yl)acetamide
CID 60862778
2-[[(2S)-1-hydroxypropan-2-yl]carbamoyl]benzoic acid
CID 93366028
2-formyl-N-[(2S)-1-hydroxypropan-2-yl]benzamide
CID 87984886
(E)-3-[2-(difluoromethoxy)phenyl]-N-(1-hydroxypropan-2-yl)prop-2-enamide
CID 78857424

Frequently Asked Questions

What is the IUPAC name of (E)-N-[(2S)-1-hydroxypropan-2-yl]-3-phenylpent-2-enamide?
The IUPAC name of (E)-N-[(2S)-1-hydroxypropan-2-yl]-3-phenylpent-2-enamide (CID 110306939) is (E)-N-[(2S)-1-hydroxypropan-2-yl]-3-phenylpent-2-enamide.
What is the SMILES notation for (E)-N-[(2S)-1-hydroxypropan-2-yl]-3-phenylpent-2-enamide?
The canonical SMILES for (E)-N-[(2S)-1-hydroxypropan-2-yl]-3-phenylpent-2-enamide is CC/C(=C\C(=O)N[C@@H](C)CO)c1ccccc1.
What is the InChIKey of (E)-N-[(2S)-1-hydroxypropan-2-yl]-3-phenylpent-2-enamide?
The InChIKey is RHIHQXHSOJZNFE-UTEVDWOZSA-N. The full InChI is InChI=1S/C14H19NO2/c1-3-12(13-7-5-4-6-8-13)9-14(17)15-11(2)10-16/h4-9,11,16H,3,10H2,1-2H3,(H,15,17)/b12-9+/t11-/m0/s1.
What are the key properties of (E)-N-[(2S)-1-hydroxypropan-2-yl]-3-phenylpent-2-enamide?
(E)-N-[(2S)-1-hydroxypropan-2-yl]-3-phenylpent-2-enamide has a molecular weight of 233.31 g/mol, XLogP of 1.98, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(2S)-1-hydroxypropan-2-yl]-3-phenylpent-2-enamide is sourced from PubChem (CID 110306939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).