2-(3-hydroxyphenyl)-N-[(3S)-3-hydroxy-3-phenylpropyl]acetamide

C17H19NO3 — CID 97014799

IUPAC2-(3-hydroxyphenyl)-N-[(3S)-3-hydroxy-3-phenylpropyl]acetamide
SMILESO=C(Cc1cccc(O)c1)NCC[C@H](O)c1ccccc1
InChIInChI=1S/C17H19NO3/c19-15-8-4-5-13(11-15)12-17(21)18-10-9-16(20)14-6-2-1-3-7-14/h1-8,11,16,19-20H,9-10,12H2,(H,18,21)/t16-/m0/s1
InChIKeyJMQMTWRYJWFMNF-INIZCTEOSA-N
MW285.34 g/mol
LogP2.17
Rot. Bonds6

About 2-(3-hydroxyphenyl)-N-[(3S)-3-hydroxy-3-phenylpropyl]acetamide

2-(3-hydroxyphenyl)-N-[(3S)-3-hydroxy-3-phenylpropyl]acetamide (PubChem CID 97014799) has the molecular formula C17H19NO3 and a molecular weight of 285.34 g/mol. Its IUPAC name is 2-(3-hydroxyphenyl)-N-[(3S)-3-hydroxy-3-phenylpropyl]acetamide.

Molecular Properties

Compound Name2-(3-hydroxyphenyl)-N-[(3S)-3-hydroxy-3-phenylpropyl]acetamide
PubChem CID97014799
Molecular FormulaC17H19NO3
Molecular Weight285.34 g/mol
Exact Mass285.14
IUPAC Name2-(3-hydroxyphenyl)-N-[(3S)-3-hydroxy-3-phenylpropyl]acetamide
SMILESO=C(Cc1cccc(O)c1)NCC[C@H](O)c1ccccc1
InChIInChI=1S/C17H19NO3/c19-15-8-4-5-13(11-15)12-17(21)18-10-9-16(20)14-6-2-1-3-7-14/h1-8,11,16,19-20H,9-10,12H2,(H,18,21)/t16-/m0/s1
InChIKeyJMQMTWRYJWFMNF-INIZCTEOSA-N
XLogP2.17
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 52.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

[3-hydroxy-3-(3-hydroxyphenyl)propyl]carbamic acid
CID 67296637
N-(2-amino-2-phenylethyl)-2-(3-hydroxyphenyl)acetamide
CID 63120581
N-(2-chloro-2-phenylethyl)-2-(3-hydroxyphenyl)acetamide
CID 114295749
2-(2-fluorophenyl)-N-(3-hydroxy-3-phenylpropyl)acetamide
CID 111472132
N-(3-hydroxy-3-phenylpropyl)-2-(4-methoxyphenyl)acetamide
CID 71690034
3-(3-chlorophenyl)-N-(3-hydroxy-3-phenylpropyl)propanamide
CID 111472067
benzyl N-[(3R)-3-hydroxy-3-phenylpropyl]carbamate
CID 125117230
2-[4-(cyanomethoxy)phenyl]-N-(3-hydroxy-3-phenylpropyl)acetamide
CID 111471793
N-(2-cyanoethyl)-2-(3-hydroxyphenyl)acetamide
CID 62651288
2-(3-hydroxyphenyl)-N-[(1S)-2-hydroxy-1-phenylethyl]acetamide
CID 103946380
2-(3-hydroxyphenyl)-N-[(1R)-2-hydroxy-1-phenylethyl]acetamide
CID 103946363
N-(5-hydroxy-4-methylpentyl)-2-(3-hydroxyphenyl)acetamide
CID 113341295

Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxyphenyl)-N-[(3S)-3-hydroxy-3-phenylpropyl]acetamide?
The IUPAC name of 2-(3-hydroxyphenyl)-N-[(3S)-3-hydroxy-3-phenylpropyl]acetamide (CID 97014799) is 2-(3-hydroxyphenyl)-N-[(3S)-3-hydroxy-3-phenylpropyl]acetamide.
What is the SMILES notation for 2-(3-hydroxyphenyl)-N-[(3S)-3-hydroxy-3-phenylpropyl]acetamide?
The canonical SMILES for 2-(3-hydroxyphenyl)-N-[(3S)-3-hydroxy-3-phenylpropyl]acetamide is O=C(Cc1cccc(O)c1)NCC[C@H](O)c1ccccc1.
What is the InChIKey of 2-(3-hydroxyphenyl)-N-[(3S)-3-hydroxy-3-phenylpropyl]acetamide?
The InChIKey is JMQMTWRYJWFMNF-INIZCTEOSA-N. The full InChI is InChI=1S/C17H19NO3/c19-15-8-4-5-13(11-15)12-17(21)18-10-9-16(20)14-6-2-1-3-7-14/h1-8,11,16,19-20H,9-10,12H2,(H,18,21)/t16-/m0/s1.
What are the key properties of 2-(3-hydroxyphenyl)-N-[(3S)-3-hydroxy-3-phenylpropyl]acetamide?
2-(3-hydroxyphenyl)-N-[(3S)-3-hydroxy-3-phenylpropyl]acetamide has a molecular weight of 285.34 g/mol, XLogP of 2.17, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxyphenyl)-N-[(3S)-3-hydroxy-3-phenylpropyl]acetamide is sourced from PubChem (CID 97014799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).