N-[2-(3-hydroxyphenyl)-1-phenylethyl]prop-2-enamide

C17H17NO2 — CID 146094351

IUPACN-[2-(3-hydroxyphenyl)-1-phenylethyl]prop-2-enamide
SMILESC=CC(=O)NC(Cc1cccc(O)c1)c1ccccc1
InChIInChI=1S/C17H17NO2/c1-2-17(20)18-16(14-8-4-3-5-9-14)12-13-7-6-10-15(19)11-13/h2-11,16,19H,1,12H2,(H,18,20)
InChIKeyYJLHFFBZUCPWJP-UHFFFAOYSA-N
MW267.33 g/mol
LogP2.98
Rot. Bonds5

About N-[2-(3-hydroxyphenyl)-1-phenylethyl]prop-2-enamide

N-[2-(3-hydroxyphenyl)-1-phenylethyl]prop-2-enamide (PubChem CID 146094351) has the molecular formula C17H17NO2 and a molecular weight of 267.33 g/mol. Its IUPAC name is N-[2-(3-hydroxyphenyl)-1-phenylethyl]prop-2-enamide.

Molecular Properties

Compound NameN-[2-(3-hydroxyphenyl)-1-phenylethyl]prop-2-enamide
PubChem CID146094351
Molecular FormulaC17H17NO2
Molecular Weight267.33 g/mol
Exact Mass267.13
IUPAC NameN-[2-(3-hydroxyphenyl)-1-phenylethyl]prop-2-enamide
SMILESC=CC(=O)NC(Cc1cccc(O)c1)c1ccccc1
InChIInChI=1S/C17H17NO2/c1-2-17(20)18-16(14-8-4-3-5-9-14)12-13-7-6-10-15(19)11-13/h2-11,16,19H,1,12H2,(H,18,20)
InChIKeyYJLHFFBZUCPWJP-UHFFFAOYSA-N
XLogP2.98
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 ≤ 52.98
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

N-(1,2-diphenylethyl)buta-2,3-dienamide
CID 176519467
2-(3-hydroxyphenyl)-N-[(1R)-2-hydroxy-1-phenylethyl]acetamide
CID 103946363
2-(3-hydroxyphenyl)-N-[(1S)-2-hydroxy-1-phenylethyl]acetamide
CID 103946380
3-(3-hydroxyphenyl)-2-phenylpropanoic acid
CID 75532125
2-(3-hydroxyphenyl)-N-[(1S)-2-[(R)-methylsulfinyl]-1-phenylethyl]acetamide
CID 96526173
2-(3-hydroxyphenyl)-N-(2-methylsulfinyl-1-phenylethyl)acetamide
CID 71863857
benzyl N-[(1S)-1-(3-hydroxyphenyl)but-3-enyl]carbamate
CID 175272837
4-(cyclopropanecarbonylamino)-N-[(1S)-2-(3-hydroxyphenyl)-1-phenylethyl]benzamide
CID 97081272
3-(3-hydroxyphenyl)-2-[(2-phenylacetyl)amino]propanoic acid
CID 112758397
1,2-diphenylethylurea
CID 2853470
1-(1,2-diphenylethyl)-3-methylurea
CID 23548551
N-[5-(3-hydroxyphenyl)-2-[3-(3-hydroxyphenyl)prop-2-enoyl]-3-oxo-1-phenylpent-4-enyl]prop-2-enamide
CID 78103158

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-hydroxyphenyl)-1-phenylethyl]prop-2-enamide?
The IUPAC name of N-[2-(3-hydroxyphenyl)-1-phenylethyl]prop-2-enamide (CID 146094351) is N-[2-(3-hydroxyphenyl)-1-phenylethyl]prop-2-enamide.
What is the SMILES notation for N-[2-(3-hydroxyphenyl)-1-phenylethyl]prop-2-enamide?
The canonical SMILES for N-[2-(3-hydroxyphenyl)-1-phenylethyl]prop-2-enamide is C=CC(=O)NC(Cc1cccc(O)c1)c1ccccc1.
What is the InChIKey of N-[2-(3-hydroxyphenyl)-1-phenylethyl]prop-2-enamide?
The InChIKey is YJLHFFBZUCPWJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO2/c1-2-17(20)18-16(14-8-4-3-5-9-14)12-13-7-6-10-15(19)11-13/h2-11,16,19H,1,12H2,(H,18,20).
What are the key properties of N-[2-(3-hydroxyphenyl)-1-phenylethyl]prop-2-enamide?
N-[2-(3-hydroxyphenyl)-1-phenylethyl]prop-2-enamide has a molecular weight of 267.33 g/mol, XLogP of 2.98, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-hydroxyphenyl)-1-phenylethyl]prop-2-enamide is sourced from PubChem (CID 146094351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).