2-cyano-N-[2-(methoxymethyl)phenyl]-2-phenylacetamide

C17H16N2O2 — CID 62878418

IUPAC2-cyano-N-[2-(methoxymethyl)phenyl]-2-phenylacetamide
SMILESCOCc1ccccc1NC(=O)C(C#N)c1ccccc1
InChIInChI=1S/C17H16N2O2/c1-21-12-14-9-5-6-10-16(14)19-17(20)15(11-18)13-7-3-2-4-8-13/h2-10,15H,12H2,1H3,(H,19,20)
InChIKeyVDQMQISPACGQSD-UHFFFAOYSA-N
MW280.33 g/mol
LogP3.08
Rot. Bonds5

About 2-cyano-N-[2-(methoxymethyl)phenyl]-2-phenylacetamide

2-cyano-N-[2-(methoxymethyl)phenyl]-2-phenylacetamide (PubChem CID 62878418) has the molecular formula C17H16N2O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is 2-cyano-N-[2-(methoxymethyl)phenyl]-2-phenylacetamide.

Molecular Properties

Compound Name2-cyano-N-[2-(methoxymethyl)phenyl]-2-phenylacetamide
PubChem CID62878418
Molecular FormulaC17H16N2O2
Molecular Weight280.33 g/mol
Exact Mass280.12
IUPAC Name2-cyano-N-[2-(methoxymethyl)phenyl]-2-phenylacetamide
SMILESCOCc1ccccc1NC(=O)C(C#N)c1ccccc1
InChIInChI=1S/C17H16N2O2/c1-21-12-14-9-5-6-10-16(14)19-17(20)15(11-18)13-7-3-2-4-8-13/h2-10,15H,12H2,1H3,(H,19,20)
InChIKeyVDQMQISPACGQSD-UHFFFAOYSA-N
XLogP3.08
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N-[2-(methoxymethyl)phenyl]-2-phenylacetamide
CID 104897233
1-[2-(methoxymethyl)phenyl]-3-methylurea
CID 115582115
1-(3,3-diphenylpropyl)-3-[2-(methoxymethyl)phenyl]urea
CID 52601128
2-cyano-N-(3-fluoro-2-methylphenyl)-2-phenylacetamide
CID 62876848
N-(3-bromo-2-methylphenyl)-2-cyano-2-phenylacetamide
CID 107625909
N-[2-(methoxymethyl)phenyl]-2-(methylamino)propanamide
CID 62637466
(2R)-2-amino-N-[2-(methoxymethyl)phenyl]propanamide;hydrochloride
CID 119288747
3-amino-4-[2-(methoxymethyl)anilino]-4-oxobutanoic acid
CID 64896269
2-amino-N-[2-(methoxymethyl)phenyl]-3-methylbutanamide
CID 43700969
1-[2-(methoxymethyl)phenyl]-3-[(1S)-2,2,2-trifluoro-1-phenylethyl]urea
CID 95297580
2-cyano-N-ethyl-2-phenylacetamide
CID 62877347
N-(3-chloro-2-fluorophenyl)-2-cyano-2-phenylacetamide
CID 62877359

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[2-(methoxymethyl)phenyl]-2-phenylacetamide?
The IUPAC name of 2-cyano-N-[2-(methoxymethyl)phenyl]-2-phenylacetamide (CID 62878418) is 2-cyano-N-[2-(methoxymethyl)phenyl]-2-phenylacetamide.
What is the SMILES notation for 2-cyano-N-[2-(methoxymethyl)phenyl]-2-phenylacetamide?
The canonical SMILES for 2-cyano-N-[2-(methoxymethyl)phenyl]-2-phenylacetamide is COCc1ccccc1NC(=O)C(C#N)c1ccccc1.
What is the InChIKey of 2-cyano-N-[2-(methoxymethyl)phenyl]-2-phenylacetamide?
The InChIKey is VDQMQISPACGQSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2/c1-21-12-14-9-5-6-10-16(14)19-17(20)15(11-18)13-7-3-2-4-8-13/h2-10,15H,12H2,1H3,(H,19,20).
What are the key properties of 2-cyano-N-[2-(methoxymethyl)phenyl]-2-phenylacetamide?
2-cyano-N-[2-(methoxymethyl)phenyl]-2-phenylacetamide has a molecular weight of 280.33 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-[2-(methoxymethyl)phenyl]-2-phenylacetamide is sourced from PubChem (CID 62878418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).