N-[4-acetyl-2-[(3-cyanophenyl)methoxy]phenyl]acetamide

C18H16N2O3 — CID 17493434

IUPACN-[4-acetyl-2-[(3-cyanophenyl)methoxy]phenyl]acetamide
SMILESCC(=O)Nc1ccc(C(C)=O)cc1OCc1cccc(C#N)c1
InChIInChI=1S/C18H16N2O3/c1-12(21)16-6-7-17(20-13(2)22)18(9-16)23-11-15-5-3-4-14(8-15)10-19/h3-9H,11H2,1-2H3,(H,20,22)
InChIKeySRKFUYANGYYDHS-UHFFFAOYSA-N
MW308.34 g/mol
LogP3.30
Rot. Bonds5

About N-[4-acetyl-2-[(3-cyanophenyl)methoxy]phenyl]acetamide

N-[4-acetyl-2-[(3-cyanophenyl)methoxy]phenyl]acetamide (PubChem CID 17493434) has the molecular formula C18H16N2O3 and a molecular weight of 308.34 g/mol. Its IUPAC name is N-[4-acetyl-2-[(3-cyanophenyl)methoxy]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-acetyl-2-[(3-cyanophenyl)methoxy]phenyl]acetamide
PubChem CID17493434
Molecular FormulaC18H16N2O3
Molecular Weight308.34 g/mol
Exact Mass308.12
IUPAC NameN-[4-acetyl-2-[(3-cyanophenyl)methoxy]phenyl]acetamide
SMILESCC(=O)Nc1ccc(C(C)=O)cc1OCc1cccc(C#N)c1
InChIInChI=1S/C18H16N2O3/c1-12(21)16-6-7-17(20-13(2)22)18(9-16)23-11-15-5-3-4-14(8-15)10-19/h3-9H,11H2,1-2H3,(H,20,22)
InChIKeySRKFUYANGYYDHS-UHFFFAOYSA-N
XLogP3.30
TPSA79.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(3-cyanophenyl)methoxy]-4-methoxybenzoic acid
CID 24695620
N-[4-acetyl-2-[(4-methylsulfanylphenyl)methoxy]phenyl]acetamide
CID 24609110
N-(3-acetylphenyl)-2-[3-[(3-cyanophenyl)methoxy]anilino]acetamide
CID 52703472
4-[(3-acetylphenyl)methoxy]benzonitrile;diiodovanadium
CID 159145288
3-chloro-4-[(3-cyanophenyl)methoxy]benzoic acid
CID 60711872
N-(4-methyl-2-phenylmethoxyphenyl)acetamide
CID 47311961
3-[(2-ethylphenoxy)methyl]benzonitrile
CID 39158687
4-[(4-acetyl-2-methylphenoxy)methyl]benzonitrile
CID 115610418
4-[[2-[3-chloro-4-[(3-cyanophenyl)methoxy]anilino]-2-oxoethyl]amino]benzamide
CID 154832712
N-[3-chloro-4-[(3-cyanophenyl)methylamino]phenyl]acetamide
CID 71978101
3-[(5-acetyl-2-methoxyphenyl)methoxy]benzonitrile
CID 4808187
N-[3-[(3-cyanophenyl)methoxy]phenyl]-2,4-dimethylbenzamide
CID 39501116

Frequently Asked Questions

What is the IUPAC name of N-[4-acetyl-2-[(3-cyanophenyl)methoxy]phenyl]acetamide?
The IUPAC name of N-[4-acetyl-2-[(3-cyanophenyl)methoxy]phenyl]acetamide (CID 17493434) is N-[4-acetyl-2-[(3-cyanophenyl)methoxy]phenyl]acetamide.
What is the SMILES notation for N-[4-acetyl-2-[(3-cyanophenyl)methoxy]phenyl]acetamide?
The canonical SMILES for N-[4-acetyl-2-[(3-cyanophenyl)methoxy]phenyl]acetamide is CC(=O)Nc1ccc(C(C)=O)cc1OCc1cccc(C#N)c1.
What is the InChIKey of N-[4-acetyl-2-[(3-cyanophenyl)methoxy]phenyl]acetamide?
The InChIKey is SRKFUYANGYYDHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O3/c1-12(21)16-6-7-17(20-13(2)22)18(9-16)23-11-15-5-3-4-14(8-15)10-19/h3-9H,11H2,1-2H3,(H,20,22).
What are the key properties of N-[4-acetyl-2-[(3-cyanophenyl)methoxy]phenyl]acetamide?
N-[4-acetyl-2-[(3-cyanophenyl)methoxy]phenyl]acetamide has a molecular weight of 308.34 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-acetyl-2-[(3-cyanophenyl)methoxy]phenyl]acetamide is sourced from PubChem (CID 17493434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).