N-[cyano-(2-methoxyphenyl)methyl]-2-phenylmethoxyacetamide

C18H18N2O3 — CID 56785344

IUPACN-[cyano-(2-methoxyphenyl)methyl]-2-phenylmethoxyacetamide
SMILESCOc1ccccc1C(C#N)NC(=O)COCc1ccccc1
InChIInChI=1S/C18H18N2O3/c1-22-17-10-6-5-9-15(17)16(11-19)20-18(21)13-23-12-14-7-3-2-4-8-14/h2-10,16H,12-13H2,1H3,(H,20,21)
InChIKeyBXTFZPOTJNPAQJ-UHFFFAOYSA-N
MW310.35 g/mol
LogP2.59
Rot. Bonds7

About N-[cyano-(2-methoxyphenyl)methyl]-2-phenylmethoxyacetamide

N-[cyano-(2-methoxyphenyl)methyl]-2-phenylmethoxyacetamide (PubChem CID 56785344) has the molecular formula C18H18N2O3 and a molecular weight of 310.35 g/mol. Its IUPAC name is N-[cyano-(2-methoxyphenyl)methyl]-2-phenylmethoxyacetamide.

Molecular Properties

Compound NameN-[cyano-(2-methoxyphenyl)methyl]-2-phenylmethoxyacetamide
PubChem CID56785344
Molecular FormulaC18H18N2O3
Molecular Weight310.35 g/mol
Exact Mass310.13
IUPAC NameN-[cyano-(2-methoxyphenyl)methyl]-2-phenylmethoxyacetamide
SMILESCOc1ccccc1C(C#N)NC(=O)COCc1ccccc1
InChIInChI=1S/C18H18N2O3/c1-22-17-10-6-5-9-15(17)16(11-19)20-18(21)13-23-12-14-7-3-2-4-8-14/h2-10,16H,12-13H2,1H3,(H,20,21)
InChIKeyBXTFZPOTJNPAQJ-UHFFFAOYSA-N
XLogP2.59
TPSA71.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[cyano-(2-methoxyphenyl)methyl]propanamide
CID 56687193
N-[cyano-(2-methoxyphenyl)methyl]-2-hydroxy-2-phenylacetamide
CID 111464535
2-ethoxy-N-[(1R)-1-(2-methoxyphenyl)ethyl]acetamide
CID 81387481
N-[(2S)-butan-2-yl]-2-phenylmethoxyacetamide
CID 95358537
N-[(R)-cyano-(2-methoxyphenyl)methyl]-3-methoxythiophene-2-carboxamide
CID 96549376
methyl (2S,3R)-2-cyano-3-(2-methoxyphenyl)-3-naphthalen-1-yl-2-(phenylmethoxymethyl)propanoate
CID 91478516
methyl 2-phenoxy-2-[(2-phenylmethoxyacetyl)amino]acetate
CID 91163691
2-(2-methoxyphenyl)-3-oxo-4-phenylbutanenitrile
CID 174608687
N-[(R)-cyano-(2-methoxyphenyl)methyl]-2-fluoro-6-hydroxybenzamide
CID 100615787
3-cyano-3-(2-methoxyphenyl)-N-methylpropanamide
CID 82127316
benzyl N-[hydroxy-(2-methoxyphenyl)methyl]carbamate
CID 10755704
N-(3-methyl-1-phenylbutyl)-2-phenylmethoxyacetamide
CID 55371721

Frequently Asked Questions

What is the IUPAC name of N-[cyano-(2-methoxyphenyl)methyl]-2-phenylmethoxyacetamide?
The IUPAC name of N-[cyano-(2-methoxyphenyl)methyl]-2-phenylmethoxyacetamide (CID 56785344) is N-[cyano-(2-methoxyphenyl)methyl]-2-phenylmethoxyacetamide.
What is the SMILES notation for N-[cyano-(2-methoxyphenyl)methyl]-2-phenylmethoxyacetamide?
The canonical SMILES for N-[cyano-(2-methoxyphenyl)methyl]-2-phenylmethoxyacetamide is COc1ccccc1C(C#N)NC(=O)COCc1ccccc1.
What is the InChIKey of N-[cyano-(2-methoxyphenyl)methyl]-2-phenylmethoxyacetamide?
The InChIKey is BXTFZPOTJNPAQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3/c1-22-17-10-6-5-9-15(17)16(11-19)20-18(21)13-23-12-14-7-3-2-4-8-14/h2-10,16H,12-13H2,1H3,(H,20,21).
What are the key properties of N-[cyano-(2-methoxyphenyl)methyl]-2-phenylmethoxyacetamide?
N-[cyano-(2-methoxyphenyl)methyl]-2-phenylmethoxyacetamide has a molecular weight of 310.35 g/mol, XLogP of 2.59, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyano-(2-methoxyphenyl)methyl]-2-phenylmethoxyacetamide is sourced from PubChem (CID 56785344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).