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

C17H16N2O3 — CID 30874438

IUPACN-[4-(cyanomethoxy)phenyl]-2-(3-methoxyphenyl)acetamide
SMILESCOc1cccc(CC(=O)Nc2ccc(OCC#N)cc2)c1
InChIInChI=1S/C17H16N2O3/c1-21-16-4-2-3-13(11-16)12-17(20)19-14-5-7-15(8-6-14)22-10-9-18/h2-8,11H,10,12H2,1H3,(H,19,20)
InChIKeyXMEIGZNGVKGVKN-UHFFFAOYSA-N
MW296.33 g/mol
LogP2.78
Rot. Bonds6

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

N-[4-(cyanomethoxy)phenyl]-2-(3-methoxyphenyl)acetamide (PubChem CID 30874438) has the molecular formula C17H16N2O3 and a molecular weight of 296.33 g/mol. Its IUPAC name is N-[4-(cyanomethoxy)phenyl]-2-(3-methoxyphenyl)acetamide.

Molecular Properties

Compound NameN-[4-(cyanomethoxy)phenyl]-2-(3-methoxyphenyl)acetamide
PubChem CID30874438
Molecular FormulaC17H16N2O3
Molecular Weight296.33 g/mol
Exact Mass296.12
IUPAC NameN-[4-(cyanomethoxy)phenyl]-2-(3-methoxyphenyl)acetamide
SMILESCOc1cccc(CC(=O)Nc2ccc(OCC#N)cc2)c1
InChIInChI=1S/C17H16N2O3/c1-21-16-4-2-3-13(11-16)12-17(20)19-14-5-7-15(8-6-14)22-10-9-18/h2-8,11H,10,12H2,1H3,(H,19,20)
InChIKeyXMEIGZNGVKGVKN-UHFFFAOYSA-N
XLogP2.78
TPSA71.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(cyanomethoxy)phenyl]-2-(3-hydroxyphenyl)acetamide
CID 61399410
2-(3-methoxyphenyl)-N-phenylacetamide
CID 2598681
N-[4-(cyanomethoxy)phenyl]-3-(4-methoxyphenyl)propanamide
CID 30873501
N-(3-hydroxyphenyl)-2-(3-methoxyphenyl)acetamide
CID 28739724
4-[[2-(3-methoxyphenyl)acetyl]amino]-N-methylbenzamide
CID 26679644
N-(6-amino-3-pyridinyl)-2-(3-methoxyphenyl)acetamide
CID 62899176
2-[3-[[(3-methoxyphenyl)methylamino]methyl]phenoxy]acetonitrile
CID 60874118
2-(3-methoxyphenyl)-N-(4-propan-2-ylsulfonylphenyl)acetamide
CID 110778748
2-bromo-N-[4-(cyanomethoxy)phenyl]-5-methoxybenzamide
CID 30873503
2-bromo-N-[4-(cyanomethoxy)phenyl]acetamide
CID 63679924
N-[3-(bromomethyl)phenyl]-2-(3-methoxyphenyl)acetamide
CID 114307304
2-(3-methoxyphenyl)-N-[4-[(2-piperidin-1-ylacetyl)amino]phenyl]acetamide
CID 131909721

Frequently Asked Questions

What is the IUPAC name of N-[4-(cyanomethoxy)phenyl]-2-(3-methoxyphenyl)acetamide?
The IUPAC name of N-[4-(cyanomethoxy)phenyl]-2-(3-methoxyphenyl)acetamide (CID 30874438) is N-[4-(cyanomethoxy)phenyl]-2-(3-methoxyphenyl)acetamide.
What is the SMILES notation for N-[4-(cyanomethoxy)phenyl]-2-(3-methoxyphenyl)acetamide?
The canonical SMILES for N-[4-(cyanomethoxy)phenyl]-2-(3-methoxyphenyl)acetamide is COc1cccc(CC(=O)Nc2ccc(OCC#N)cc2)c1.
What is the InChIKey of N-[4-(cyanomethoxy)phenyl]-2-(3-methoxyphenyl)acetamide?
The InChIKey is XMEIGZNGVKGVKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O3/c1-21-16-4-2-3-13(11-16)12-17(20)19-14-5-7-15(8-6-14)22-10-9-18/h2-8,11H,10,12H2,1H3,(H,19,20).
What are the key properties of N-[4-(cyanomethoxy)phenyl]-2-(3-methoxyphenyl)acetamide?
N-[4-(cyanomethoxy)phenyl]-2-(3-methoxyphenyl)acetamide has a molecular weight of 296.33 g/mol, XLogP of 2.78, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(cyanomethoxy)phenyl]-2-(3-methoxyphenyl)acetamide is sourced from PubChem (CID 30874438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).