N-[(1S,2S)-2-hydroxy-1-phenylbut-3-enyl]benzamide

C17H17NO2 — CID 11357631

IUPACN-[(1S,2S)-2-hydroxy-1-phenylbut-3-enyl]benzamide
SMILESC=C[C@H](O)[C@@H](NC(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C17H17NO2/c1-2-15(19)16(13-9-5-3-6-10-13)18-17(20)14-11-7-4-8-12-14/h2-12,15-16,19H,1H2,(H,18,20)/t15-,16-/m0/s1
InChIKeyOQLKLXPKPPPXDZ-HOTGVXAUSA-N
MW267.33 g/mol
LogP2.70
Rot. Bonds5

About N-[(1S,2S)-2-hydroxy-1-phenylbut-3-enyl]benzamide

N-[(1S,2S)-2-hydroxy-1-phenylbut-3-enyl]benzamide (PubChem CID 11357631) has the molecular formula C17H17NO2 and a molecular weight of 267.33 g/mol. Its IUPAC name is N-[(1S,2S)-2-hydroxy-1-phenylbut-3-enyl]benzamide.

Molecular Properties

Compound NameN-[(1S,2S)-2-hydroxy-1-phenylbut-3-enyl]benzamide
PubChem CID11357631
Molecular FormulaC17H17NO2
Molecular Weight267.33 g/mol
Exact Mass267.13
IUPAC NameN-[(1S,2S)-2-hydroxy-1-phenylbut-3-enyl]benzamide
SMILESC=C[C@H](O)[C@@H](NC(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C17H17NO2/c1-2-15(19)16(13-9-5-3-6-10-13)18-17(20)14-11-7-4-8-12-14/h2-12,15-16,19H,1H2,(H,18,20)/t15-,16-/m0/s1
InChIKeyOQLKLXPKPPPXDZ-HOTGVXAUSA-N
XLogP2.70
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(1S,2S)-2-hydroxy-1-phenylbut-3-enyl]benzamide?
The IUPAC name of N-[(1S,2S)-2-hydroxy-1-phenylbut-3-enyl]benzamide (CID 11357631) is N-[(1S,2S)-2-hydroxy-1-phenylbut-3-enyl]benzamide.
What is the SMILES notation for N-[(1S,2S)-2-hydroxy-1-phenylbut-3-enyl]benzamide?
The canonical SMILES for N-[(1S,2S)-2-hydroxy-1-phenylbut-3-enyl]benzamide is C=C[C@H](O)[C@@H](NC(=O)c1ccccc1)c1ccccc1.
What is the InChIKey of N-[(1S,2S)-2-hydroxy-1-phenylbut-3-enyl]benzamide?
The InChIKey is OQLKLXPKPPPXDZ-HOTGVXAUSA-N. The full InChI is InChI=1S/C17H17NO2/c1-2-15(19)16(13-9-5-3-6-10-13)18-17(20)14-11-7-4-8-12-14/h2-12,15-16,19H,1H2,(H,18,20)/t15-,16-/m0/s1.
What are the key properties of N-[(1S,2S)-2-hydroxy-1-phenylbut-3-enyl]benzamide?
N-[(1S,2S)-2-hydroxy-1-phenylbut-3-enyl]benzamide has a molecular weight of 267.33 g/mol, XLogP of 2.70, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2S)-2-hydroxy-1-phenylbut-3-enyl]benzamide is sourced from PubChem (CID 11357631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).