N-[(3-hydroxyphenyl)methyl]-3-phenylprop-2-ynamide

C16H13NO2 — CID 54904127

IUPACN-[(3-hydroxyphenyl)methyl]-3-phenylprop-2-ynamide
SMILESO=C(C#Cc1ccccc1)NCc1cccc(O)c1
InChIInChI=1S/C16H13NO2/c18-15-8-4-7-14(11-15)12-17-16(19)10-9-13-5-2-1-3-6-13/h1-8,11,18H,12H2,(H,17,19)
InChIKeyKMBHQGZATDMMOG-UHFFFAOYSA-N
MW251.28 g/mol
LogP2.06
Rot. Bonds2

About N-[(3-hydroxyphenyl)methyl]-3-phenylprop-2-ynamide

N-[(3-hydroxyphenyl)methyl]-3-phenylprop-2-ynamide (PubChem CID 54904127) has the molecular formula C16H13NO2 and a molecular weight of 251.28 g/mol. Its IUPAC name is N-[(3-hydroxyphenyl)methyl]-3-phenylprop-2-ynamide.

Molecular Properties

Compound NameN-[(3-hydroxyphenyl)methyl]-3-phenylprop-2-ynamide
PubChem CID54904127
Molecular FormulaC16H13NO2
Molecular Weight251.28 g/mol
Exact Mass251.09
IUPAC NameN-[(3-hydroxyphenyl)methyl]-3-phenylprop-2-ynamide
SMILESO=C(C#Cc1ccccc1)NCc1cccc(O)c1
InChIInChI=1S/C16H13NO2/c18-15-8-4-7-14(11-15)12-17-16(19)10-9-13-5-2-1-3-6-13/h1-8,11,18H,12H2,(H,17,19)
InChIKeyKMBHQGZATDMMOG-UHFFFAOYSA-N
XLogP2.06
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.28
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(3-hydroxy-4-methoxyphenyl)methyl]-3-phenylprop-2-ynamide
CID 71914543
3-phenyl-N-(1H-pyrrol-3-ylmethyl)prop-2-ynamide
CID 114182107
N-benzyl-3-(4-methoxyphenyl)prop-2-ynamide
CID 12660141
N-[(3-hydroxyphenyl)methyl]-2-methyl-2-phenylpropanamide
CID 61018708
N-phenacyl-3-phenylprop-2-ynamide
CID 155676279
6-[(3-hydroxyphenyl)methylamino]-6-oxohexanoic acid
CID 110483460
3-(3-chlorophenyl)-N-(2-phenylethyl)prop-2-ynamide
CID 23627864
1-(3-aminopropyl)-3-[(3-hydroxyphenyl)methyl]urea
CID 117235452
methyl 2-(3-phenylprop-2-ynoylamino)acetate
CID 17144567
N-butyl-3-phenylprop-2-ynamide
CID 141247412
N-[[3-(hydroxymethyl)phenyl]methyl]but-2-ynamide
CID 106741557
N-[(3-hydroxyphenyl)methyl]-2,6-dimethylbenzamide
CID 103769243

Frequently Asked Questions

What is the IUPAC name of N-[(3-hydroxyphenyl)methyl]-3-phenylprop-2-ynamide?
The IUPAC name of N-[(3-hydroxyphenyl)methyl]-3-phenylprop-2-ynamide (CID 54904127) is N-[(3-hydroxyphenyl)methyl]-3-phenylprop-2-ynamide.
What is the SMILES notation for N-[(3-hydroxyphenyl)methyl]-3-phenylprop-2-ynamide?
The canonical SMILES for N-[(3-hydroxyphenyl)methyl]-3-phenylprop-2-ynamide is O=C(C#Cc1ccccc1)NCc1cccc(O)c1.
What is the InChIKey of N-[(3-hydroxyphenyl)methyl]-3-phenylprop-2-ynamide?
The InChIKey is KMBHQGZATDMMOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO2/c18-15-8-4-7-14(11-15)12-17-16(19)10-9-13-5-2-1-3-6-13/h1-8,11,18H,12H2,(H,17,19).
What are the key properties of N-[(3-hydroxyphenyl)methyl]-3-phenylprop-2-ynamide?
N-[(3-hydroxyphenyl)methyl]-3-phenylprop-2-ynamide has a molecular weight of 251.28 g/mol, XLogP of 2.06, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-hydroxyphenyl)methyl]-3-phenylprop-2-ynamide is sourced from PubChem (CID 54904127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).