N-[4-(cyanomethoxy)phenyl]-2-(3-hydroxyphenyl)acetamide

C16H14N2O3 — CID 61399410

IUPACN-[4-(cyanomethoxy)phenyl]-2-(3-hydroxyphenyl)acetamide
SMILESN#CCOc1ccc(NC(=O)Cc2cccc(O)c2)cc1
InChIInChI=1S/C16H14N2O3/c17-8-9-21-15-6-4-13(5-7-15)18-16(20)11-12-2-1-3-14(19)10-12/h1-7,10,19H,9,11H2,(H,18,20)
InChIKeySSMNJGWEZHHIQX-UHFFFAOYSA-N
MW282.30 g/mol
LogP2.48
Rot. Bonds5

About N-[4-(cyanomethoxy)phenyl]-2-(3-hydroxyphenyl)acetamide

N-[4-(cyanomethoxy)phenyl]-2-(3-hydroxyphenyl)acetamide (PubChem CID 61399410) has the molecular formula C16H14N2O3 and a molecular weight of 282.30 g/mol. Its IUPAC name is N-[4-(cyanomethoxy)phenyl]-2-(3-hydroxyphenyl)acetamide.

Molecular Properties

Compound NameN-[4-(cyanomethoxy)phenyl]-2-(3-hydroxyphenyl)acetamide
PubChem CID61399410
Molecular FormulaC16H14N2O3
Molecular Weight282.30 g/mol
Exact Mass282.10
IUPAC NameN-[4-(cyanomethoxy)phenyl]-2-(3-hydroxyphenyl)acetamide
SMILESN#CCOc1ccc(NC(=O)Cc2cccc(O)c2)cc1
InChIInChI=1S/C16H14N2O3/c17-8-9-21-15-6-4-13(5-7-15)18-16(20)11-12-2-1-3-14(19)10-12/h1-7,10,19H,9,11H2,(H,18,20)
InChIKeySSMNJGWEZHHIQX-UHFFFAOYSA-N
XLogP2.48
TPSA82.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(cyanomethoxy)phenyl]-2-(3-methoxyphenyl)acetamide
CID 30874438
2-(3-hydroxyphenyl)-N-(4-propoxyphenyl)acetamide
CID 62327820
2-(3-hydroxyphenyl)-N-(4-hydroxyphenyl)acetamide
CID 61399458
2-bromo-N-[4-(cyanomethoxy)phenyl]acetamide
CID 63679924
N-[4-(aminomethyl)phenyl]-2-(3-hydroxyphenyl)acetamide
CID 61399107
N-[4-(cyanomethoxy)phenyl]-3,5-dihydroxybenzamide
CID 107703130
N-(3,4-dihydroxyphenyl)-2-(3-hydroxyphenyl)acetamide
CID 67560299
N-[4-(cyanomethoxy)phenyl]-2-(1H-indol-3-yl)acetamide
CID 30874167
2-(3-methylphenyl)-N-(4-phenylmethoxyphenyl)acetamide
CID 113098761
3-amino-N-[4-(cyanomethoxy)phenyl]butanamide
CID 61248145
3-chloro-N-[4-(cyanomethoxy)phenyl]benzamide
CID 30874096
N-[4-(cyanomethoxy)phenyl]-3-(4-methoxyphenyl)propanamide
CID 30873501

Frequently Asked Questions

What is the IUPAC name of N-[4-(cyanomethoxy)phenyl]-2-(3-hydroxyphenyl)acetamide?
The IUPAC name of N-[4-(cyanomethoxy)phenyl]-2-(3-hydroxyphenyl)acetamide (CID 61399410) is N-[4-(cyanomethoxy)phenyl]-2-(3-hydroxyphenyl)acetamide.
What is the SMILES notation for N-[4-(cyanomethoxy)phenyl]-2-(3-hydroxyphenyl)acetamide?
The canonical SMILES for N-[4-(cyanomethoxy)phenyl]-2-(3-hydroxyphenyl)acetamide is N#CCOc1ccc(NC(=O)Cc2cccc(O)c2)cc1.
What is the InChIKey of N-[4-(cyanomethoxy)phenyl]-2-(3-hydroxyphenyl)acetamide?
The InChIKey is SSMNJGWEZHHIQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O3/c17-8-9-21-15-6-4-13(5-7-15)18-16(20)11-12-2-1-3-14(19)10-12/h1-7,10,19H,9,11H2,(H,18,20).
What are the key properties of N-[4-(cyanomethoxy)phenyl]-2-(3-hydroxyphenyl)acetamide?
N-[4-(cyanomethoxy)phenyl]-2-(3-hydroxyphenyl)acetamide has a molecular weight of 282.30 g/mol, XLogP of 2.48, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(cyanomethoxy)phenyl]-2-(3-hydroxyphenyl)acetamide is sourced from PubChem (CID 61399410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).