2-cyano-N-[[3-[(4-methylphenyl)methoxy]phenyl]methyl]acetamide

C18H18N2O2 — CID 20984569

IUPAC2-cyano-N-[[3-[(4-methylphenyl)methoxy]phenyl]methyl]acetamide
SMILESCc1ccc(COc2cccc(CNC(=O)CC#N)c2)cc1
InChIInChI=1S/C18H18N2O2/c1-14-5-7-15(8-6-14)13-22-17-4-2-3-16(11-17)12-20-18(21)9-10-19/h2-8,11H,9,12-13H2,1H3,(H,20,21)
InChIKeyKYQKEAOPEWVRDK-UHFFFAOYSA-N
MW294.35 g/mol
LogP3.10
Rot. Bonds6

About 2-cyano-N-[[3-[(4-methylphenyl)methoxy]phenyl]methyl]acetamide

2-cyano-N-[[3-[(4-methylphenyl)methoxy]phenyl]methyl]acetamide (PubChem CID 20984569) has the molecular formula C18H18N2O2 and a molecular weight of 294.35 g/mol. Its IUPAC name is 2-cyano-N-[[3-[(4-methylphenyl)methoxy]phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-cyano-N-[[3-[(4-methylphenyl)methoxy]phenyl]methyl]acetamide
PubChem CID20984569
Molecular FormulaC18H18N2O2
Molecular Weight294.35 g/mol
Exact Mass294.14
IUPAC Name2-cyano-N-[[3-[(4-methylphenyl)methoxy]phenyl]methyl]acetamide
SMILESCc1ccc(COc2cccc(CNC(=O)CC#N)c2)cc1
InChIInChI=1S/C18H18N2O2/c1-14-5-7-15(8-6-14)13-22-17-4-2-3-16(11-17)12-20-18(21)9-10-19/h2-8,11H,9,12-13H2,1H3,(H,20,21)
InChIKeyKYQKEAOPEWVRDK-UHFFFAOYSA-N
XLogP3.10
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyano-N-[[3-[2-(2,5-dimethylphenoxy)ethoxy]phenyl]methyl]acetamide
CID 20984627
2-cyano-N-[(3-methoxyphenyl)methyl]acetamide
CID 55134556
2-cyano-N-[[3-[2-(2,3,6-trimethylphenoxy)ethoxy]phenyl]methyl]acetamide
CID 20993463
2-cyano-N-[[3-[2-(diethylamino)ethoxy]phenyl]methyl]acetamide
CID 22687978
2-cyano-N-[3-[[[2-(4-methylphenyl)acetyl]amino]methyl]phenyl]acetamide
CID 108924129
N-[(3-methylphenyl)methyl]-3-phenylmethoxybenzamide
CID 50875108
2-cyano-N-[[3-ethoxy-4-[2-(4-methylphenoxy)ethoxy]phenyl]methyl]acetamide
CID 20989951
methyl 4-[[3-(methylaminomethyl)phenoxy]methyl]benzoate
CID 60883533
2-(4-methylphenyl)-1-(3-phenylmethoxyphenyl)ethanone
CID 10543442
2-cyano-N-[[4-methoxy-2-[(3-methylphenyl)methoxy]phenyl]methyl]acetamide
CID 20988878
2-cyano-N-[[4-(2-phenoxyethoxy)phenyl]methyl]acetamide
CID 20992997
2-cyano-N-[(4-ethoxyphenyl)methyl]acetamide
CID 20991624

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[[3-[(4-methylphenyl)methoxy]phenyl]methyl]acetamide?
The IUPAC name of 2-cyano-N-[[3-[(4-methylphenyl)methoxy]phenyl]methyl]acetamide (CID 20984569) is 2-cyano-N-[[3-[(4-methylphenyl)methoxy]phenyl]methyl]acetamide.
What is the SMILES notation for 2-cyano-N-[[3-[(4-methylphenyl)methoxy]phenyl]methyl]acetamide?
The canonical SMILES for 2-cyano-N-[[3-[(4-methylphenyl)methoxy]phenyl]methyl]acetamide is Cc1ccc(COc2cccc(CNC(=O)CC#N)c2)cc1.
What is the InChIKey of 2-cyano-N-[[3-[(4-methylphenyl)methoxy]phenyl]methyl]acetamide?
The InChIKey is KYQKEAOPEWVRDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2/c1-14-5-7-15(8-6-14)13-22-17-4-2-3-16(11-17)12-20-18(21)9-10-19/h2-8,11H,9,12-13H2,1H3,(H,20,21).
What are the key properties of 2-cyano-N-[[3-[(4-methylphenyl)methoxy]phenyl]methyl]acetamide?
2-cyano-N-[[3-[(4-methylphenyl)methoxy]phenyl]methyl]acetamide has a molecular weight of 294.35 g/mol, XLogP of 3.10, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-[[3-[(4-methylphenyl)methoxy]phenyl]methyl]acetamide is sourced from PubChem (CID 20984569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).