N-[cyano-(2-methoxyphenyl)methyl]-2-hydroxy-2-phenylacetamide

C17H16N2O3 — CID 111464535

IUPACN-[cyano-(2-methoxyphenyl)methyl]-2-hydroxy-2-phenylacetamide
SMILESCOc1ccccc1C(C#N)NC(=O)C(O)c1ccccc1
InChIInChI=1S/C17H16N2O3/c1-22-15-10-6-5-9-13(15)14(11-18)19-17(21)16(20)12-7-3-2-4-8-12/h2-10,14,16,20H,1H3,(H,19,21)
InChIKeyMQISRCXUFOEDLS-UHFFFAOYSA-N
MW296.33 g/mol
LogP2.11
Rot. Bonds5

About N-[cyano-(2-methoxyphenyl)methyl]-2-hydroxy-2-phenylacetamide

N-[cyano-(2-methoxyphenyl)methyl]-2-hydroxy-2-phenylacetamide (PubChem CID 111464535) has the molecular formula C17H16N2O3 and a molecular weight of 296.33 g/mol. Its IUPAC name is N-[cyano-(2-methoxyphenyl)methyl]-2-hydroxy-2-phenylacetamide.

Molecular Properties

Compound NameN-[cyano-(2-methoxyphenyl)methyl]-2-hydroxy-2-phenylacetamide
PubChem CID111464535
Molecular FormulaC17H16N2O3
Molecular Weight296.33 g/mol
Exact Mass296.12
IUPAC NameN-[cyano-(2-methoxyphenyl)methyl]-2-hydroxy-2-phenylacetamide
SMILESCOc1ccccc1C(C#N)NC(=O)C(O)c1ccccc1
InChIInChI=1S/C17H16N2O3/c1-22-15-10-6-5-9-13(15)14(11-18)19-17(21)16(20)12-7-3-2-4-8-12/h2-10,14,16,20H,1H3,(H,19,21)
InChIKeyMQISRCXUFOEDLS-UHFFFAOYSA-N
XLogP2.11
TPSA82.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[cyano-(2-methoxyphenyl)methyl]propanamide
CID 56687193
N-[(R)-cyano-(2-methoxyphenyl)methyl]-3-methoxythiophene-2-carboxamide
CID 96549376
(2R)-2-hydroxy-N-[(S)-(2-methoxyphenyl)-pyridin-2-ylmethyl]-2-phenylacetamide
CID 97248197
N-[cyano-(2-methoxyphenyl)methyl]-2-phenylmethoxyacetamide
CID 56785344
N-[(R)-cyano-(2-methoxyphenyl)methyl]-2-fluoro-6-hydroxybenzamide
CID 100615787
N-(cyanomethyl)-2-hydroxy-2-phenylacetamide
CID 103687126
N-[(S)-cyano-(2-methylphenyl)methyl]-2,5-dimethoxybenzamide
CID 95769630
N-[(R)-cyano-(2-methylphenyl)methyl]-3-methoxythiophene-2-carboxamide
CID 96549404
N-[(R)-cyano-(2-methoxyphenyl)methyl]-2-(trifluoromethyl)pyridine-3-carboxamide
CID 99793440
3-chloro-N-[cyano-(2-methoxyphenyl)methyl]-2-nitrobenzamide
CID 75514742
N-[(R)-cyano-(2-methoxyphenyl)methyl]-5-methoxy-1H-indole-2-carboxamide
CID 99790517
2-[cyano(hydroxy)methyl]-6-methoxybenzoic acid
CID 86062059

Frequently Asked Questions

What is the IUPAC name of N-[cyano-(2-methoxyphenyl)methyl]-2-hydroxy-2-phenylacetamide?
The IUPAC name of N-[cyano-(2-methoxyphenyl)methyl]-2-hydroxy-2-phenylacetamide (CID 111464535) is N-[cyano-(2-methoxyphenyl)methyl]-2-hydroxy-2-phenylacetamide.
What is the SMILES notation for N-[cyano-(2-methoxyphenyl)methyl]-2-hydroxy-2-phenylacetamide?
The canonical SMILES for N-[cyano-(2-methoxyphenyl)methyl]-2-hydroxy-2-phenylacetamide is COc1ccccc1C(C#N)NC(=O)C(O)c1ccccc1.
What is the InChIKey of N-[cyano-(2-methoxyphenyl)methyl]-2-hydroxy-2-phenylacetamide?
The InChIKey is MQISRCXUFOEDLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O3/c1-22-15-10-6-5-9-13(15)14(11-18)19-17(21)16(20)12-7-3-2-4-8-12/h2-10,14,16,20H,1H3,(H,19,21).
What are the key properties of N-[cyano-(2-methoxyphenyl)methyl]-2-hydroxy-2-phenylacetamide?
N-[cyano-(2-methoxyphenyl)methyl]-2-hydroxy-2-phenylacetamide has a molecular weight of 296.33 g/mol, XLogP of 2.11, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyano-(2-methoxyphenyl)methyl]-2-hydroxy-2-phenylacetamide is sourced from PubChem (CID 111464535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).