N-[(2S)-2-hydroxy-2-(4-methoxyphenyl)ethyl]benzamide

C16H17NO3 — CID 6482976

IUPACN-[(2S)-2-hydroxy-2-(4-methoxyphenyl)ethyl]benzamide
SMILESCOc1ccc([C@H](O)CNC(=O)c2ccccc2)cc1
InChIInChI=1S/C16H17NO3/c1-20-14-9-7-12(8-10-14)15(18)11-17-16(19)13-5-3-2-4-6-13/h2-10,15,18H,11H2,1H3,(H,17,19)/t15-/m1/s1
InChIKeyNICURWGAEFHESQ-OAHLLOKOSA-N
MW271.32 g/mol
LogP2.16
Rot. Bonds5

About N-[(2S)-2-hydroxy-2-(4-methoxyphenyl)ethyl]benzamide

N-[(2S)-2-hydroxy-2-(4-methoxyphenyl)ethyl]benzamide (PubChem CID 6482976) has the molecular formula C16H17NO3 and a molecular weight of 271.32 g/mol. Its IUPAC name is N-[(2S)-2-hydroxy-2-(4-methoxyphenyl)ethyl]benzamide.

Molecular Properties

Compound NameN-[(2S)-2-hydroxy-2-(4-methoxyphenyl)ethyl]benzamide
PubChem CID6482976
Molecular FormulaC16H17NO3
Molecular Weight271.32 g/mol
Exact Mass271.12
IUPAC NameN-[(2S)-2-hydroxy-2-(4-methoxyphenyl)ethyl]benzamide
SMILESCOc1ccc([C@H](O)CNC(=O)c2ccccc2)cc1
InChIInChI=1S/C16H17NO3/c1-20-14-9-7-12(8-10-14)15(18)11-17-16(19)13-5-3-2-4-6-13/h2-10,15,18H,11H2,1H3,(H,17,19)/t15-/m1/s1
InChIKeyNICURWGAEFHESQ-OAHLLOKOSA-N
XLogP2.16
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-hydroxy-2-(4-methoxyphenyl)ethyl]benzamide?
The IUPAC name of N-[(2S)-2-hydroxy-2-(4-methoxyphenyl)ethyl]benzamide (CID 6482976) is N-[(2S)-2-hydroxy-2-(4-methoxyphenyl)ethyl]benzamide.
What is the SMILES notation for N-[(2S)-2-hydroxy-2-(4-methoxyphenyl)ethyl]benzamide?
The canonical SMILES for N-[(2S)-2-hydroxy-2-(4-methoxyphenyl)ethyl]benzamide is COc1ccc([C@H](O)CNC(=O)c2ccccc2)cc1.
What is the InChIKey of N-[(2S)-2-hydroxy-2-(4-methoxyphenyl)ethyl]benzamide?
The InChIKey is NICURWGAEFHESQ-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H17NO3/c1-20-14-9-7-12(8-10-14)15(18)11-17-16(19)13-5-3-2-4-6-13/h2-10,15,18H,11H2,1H3,(H,17,19)/t15-/m1/s1.
What are the key properties of N-[(2S)-2-hydroxy-2-(4-methoxyphenyl)ethyl]benzamide?
N-[(2S)-2-hydroxy-2-(4-methoxyphenyl)ethyl]benzamide has a molecular weight of 271.32 g/mol, XLogP of 2.16, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-hydroxy-2-(4-methoxyphenyl)ethyl]benzamide is sourced from PubChem (CID 6482976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).