(2R)-N-benzyl-2-[(S)-hydroxy(phenyl)methyl]pent-4-enamide

C19H21NO2 — CID 177415475

IUPAC(2R)-N-benzyl-2-[(S)-hydroxy(phenyl)methyl]pent-4-enamide
SMILESC=CC[C@@H](C(=O)NCc1ccccc1)[C@H](O)c1ccccc1
InChIInChI=1S/C19H21NO2/c1-2-9-17(18(21)16-12-7-4-8-13-16)19(22)20-14-15-10-5-3-6-11-15/h2-8,10-13,17-18,21H,1,9,14H2,(H,20,22)/t17-,18-/m1/s1
InChIKeyTWIIRHFMJTYZJK-QZTJIDSGSA-N
MW295.38 g/mol
LogP3.23
Rot. Bonds7

About (2R)-N-benzyl-2-[(S)-hydroxy(phenyl)methyl]pent-4-enamide

(2R)-N-benzyl-2-[(S)-hydroxy(phenyl)methyl]pent-4-enamide (PubChem CID 177415475) has the molecular formula C19H21NO2 and a molecular weight of 295.38 g/mol. Its IUPAC name is (2R)-N-benzyl-2-[(S)-hydroxy(phenyl)methyl]pent-4-enamide.

Molecular Properties

Compound Name(2R)-N-benzyl-2-[(S)-hydroxy(phenyl)methyl]pent-4-enamide
PubChem CID177415475
Molecular FormulaC19H21NO2
Molecular Weight295.38 g/mol
Exact Mass295.16
IUPAC Name(2R)-N-benzyl-2-[(S)-hydroxy(phenyl)methyl]pent-4-enamide
SMILESC=CC[C@@H](C(=O)NCc1ccccc1)[C@H](O)c1ccccc1
InChIInChI=1S/C19H21NO2/c1-2-9-17(18(21)16-12-7-4-8-13-16)19(22)20-14-15-10-5-3-6-11-15/h2-8,10-13,17-18,21H,1,9,14H2,(H,20,22)/t17-,18-/m1/s1
InChIKeyTWIIRHFMJTYZJK-QZTJIDSGSA-N
XLogP3.23
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2S,3R)-N-benzyl-2,3-dihydroxy-3-phenylpropanamide
CID 71048663
(4S)-4-[(R)-hydroxy(phenyl)methyl]-2-methylhept-6-en-3-one
CID 101163130
N-benzyl-2-cyanopent-4-enamide
CID 70405767
(3S,4R)-3-(benzylcarbamoyl)-4-phenylpentanoic acid
CID 805106
N-benzyl-2-(benzylamino)-2-phenylacetamide
CID 3577871
N'-benzyl-2-phenylpropanediamide
CID 57080466
(2S)-N-benzyl-2-hydroxy-4-methylpentanamide
CID 10822877
4,6-diphenylnona-1,8-dien-5-one
CID 69419927
[2-(benzylamino)-2-oxo-1-phenylethyl] thiocyanate
CID 135051211
N-benzyl-2-methylpropanamide;methane
CID 160760567
(2S,3S)-3-amino-N-benzyl-2-hydroxybutanamide
CID 71428233
N-benzyl-3-hydroxy-3-phenylpropanamide
CID 15473661

Frequently Asked Questions

What is the IUPAC name of (2R)-N-benzyl-2-[(S)-hydroxy(phenyl)methyl]pent-4-enamide?
The IUPAC name of (2R)-N-benzyl-2-[(S)-hydroxy(phenyl)methyl]pent-4-enamide (CID 177415475) is (2R)-N-benzyl-2-[(S)-hydroxy(phenyl)methyl]pent-4-enamide.
What is the SMILES notation for (2R)-N-benzyl-2-[(S)-hydroxy(phenyl)methyl]pent-4-enamide?
The canonical SMILES for (2R)-N-benzyl-2-[(S)-hydroxy(phenyl)methyl]pent-4-enamide is C=CC[C@@H](C(=O)NCc1ccccc1)[C@H](O)c1ccccc1.
What is the InChIKey of (2R)-N-benzyl-2-[(S)-hydroxy(phenyl)methyl]pent-4-enamide?
The InChIKey is TWIIRHFMJTYZJK-QZTJIDSGSA-N. The full InChI is InChI=1S/C19H21NO2/c1-2-9-17(18(21)16-12-7-4-8-13-16)19(22)20-14-15-10-5-3-6-11-15/h2-8,10-13,17-18,21H,1,9,14H2,(H,20,22)/t17-,18-/m1/s1.
What are the key properties of (2R)-N-benzyl-2-[(S)-hydroxy(phenyl)methyl]pent-4-enamide?
(2R)-N-benzyl-2-[(S)-hydroxy(phenyl)methyl]pent-4-enamide has a molecular weight of 295.38 g/mol, XLogP of 3.23, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-benzyl-2-[(S)-hydroxy(phenyl)methyl]pent-4-enamide is sourced from PubChem (CID 177415475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).