2-cyano-N-[(3-methoxy-2-phenylmethoxyphenyl)methyl]acetamide

C18H18N2O3 — CID 20992900

IUPAC2-cyano-N-[(3-methoxy-2-phenylmethoxyphenyl)methyl]acetamide
SMILESCOc1cccc(CNC(=O)CC#N)c1OCc1ccccc1
InChIInChI=1S/C18H18N2O3/c1-22-16-9-5-8-15(12-20-17(21)10-11-19)18(16)23-13-14-6-3-2-4-7-14/h2-9H,10,12-13H2,1H3,(H,20,21)
InChIKeyWPLXSJMDOIVHHN-UHFFFAOYSA-N
MW310.35 g/mol
LogP2.80
Rot. Bonds7

About 2-cyano-N-[(3-methoxy-2-phenylmethoxyphenyl)methyl]acetamide

2-cyano-N-[(3-methoxy-2-phenylmethoxyphenyl)methyl]acetamide (PubChem CID 20992900) has the molecular formula C18H18N2O3 and a molecular weight of 310.35 g/mol. Its IUPAC name is 2-cyano-N-[(3-methoxy-2-phenylmethoxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-cyano-N-[(3-methoxy-2-phenylmethoxyphenyl)methyl]acetamide
PubChem CID20992900
Molecular FormulaC18H18N2O3
Molecular Weight310.35 g/mol
Exact Mass310.13
IUPAC Name2-cyano-N-[(3-methoxy-2-phenylmethoxyphenyl)methyl]acetamide
SMILESCOc1cccc(CNC(=O)CC#N)c1OCc1ccccc1
InChIInChI=1S/C18H18N2O3/c1-22-16-9-5-8-15(12-20-17(21)10-11-19)18(16)23-13-14-6-3-2-4-7-14/h2-9H,10,12-13H2,1H3,(H,20,21)
InChIKeyWPLXSJMDOIVHHN-UHFFFAOYSA-N
XLogP2.80
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 ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyano-N-[[2-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]methyl]acetamide
CID 20984632
2-cyano-N-[[2-(3-phenylpropoxy)phenyl]methyl]acetamide
CID 22683914
2-cyano-N-[[3-methoxy-2-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]acetamide
CID 22685929
4-[[3-methoxy-2-[(4-methylphenyl)methoxy]phenyl]methylamino]-4-oxobutanoic acid
CID 20987474
N-[(3-methoxy-2-phenylmethoxyphenyl)methyl]prop-2-yn-1-amine
CID 94074149
2-cyano-N-[2-(3-methoxy-2-propoxyphenyl)ethyl]acetamide
CID 22686324
2-[(3-methoxy-2-phenylmethoxyphenyl)methylamino]ethanol;hydrochloride
CID 2959356
2-cyano-N-[2-(4-methoxy-3-phenylmethoxyphenyl)ethyl]acetamide
CID 22679906
2-cyano-N-[2-[2-[2-(2-ethoxyphenoxy)ethoxy]-3-methoxyphenyl]ethyl]acetamide
CID 20984771
N-[[3-chloro-4-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]methyl]-2-cyanoacetamide
CID 20986144
2-cyano-N-[[4-methoxy-2-[(3-methylphenyl)methoxy]phenyl]methyl]acetamide
CID 20988878
N-[2-[2-[2-(2-chlorophenoxy)ethoxy]-3-methoxyphenyl]ethyl]-2-cyanoacetamide
CID 22686054

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[(3-methoxy-2-phenylmethoxyphenyl)methyl]acetamide?
The IUPAC name of 2-cyano-N-[(3-methoxy-2-phenylmethoxyphenyl)methyl]acetamide (CID 20992900) is 2-cyano-N-[(3-methoxy-2-phenylmethoxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-cyano-N-[(3-methoxy-2-phenylmethoxyphenyl)methyl]acetamide?
The canonical SMILES for 2-cyano-N-[(3-methoxy-2-phenylmethoxyphenyl)methyl]acetamide is COc1cccc(CNC(=O)CC#N)c1OCc1ccccc1.
What is the InChIKey of 2-cyano-N-[(3-methoxy-2-phenylmethoxyphenyl)methyl]acetamide?
The InChIKey is WPLXSJMDOIVHHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3/c1-22-16-9-5-8-15(12-20-17(21)10-11-19)18(16)23-13-14-6-3-2-4-7-14/h2-9H,10,12-13H2,1H3,(H,20,21).
What are the key properties of 2-cyano-N-[(3-methoxy-2-phenylmethoxyphenyl)methyl]acetamide?
2-cyano-N-[(3-methoxy-2-phenylmethoxyphenyl)methyl]acetamide has a molecular weight of 310.35 g/mol, XLogP of 2.80, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-[(3-methoxy-2-phenylmethoxyphenyl)methyl]acetamide is sourced from PubChem (CID 20992900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).