2-cyano-N-[4-[[2-(2-methoxyphenyl)acetyl]amino]phenyl]acetamide

C18H17N3O3 — CID 108922586

IUPAC2-cyano-N-[4-[[2-(2-methoxyphenyl)acetyl]amino]phenyl]acetamide
SMILESCOc1ccccc1CC(=O)Nc1ccc(NC(=O)CC#N)cc1
InChIInChI=1S/C18H17N3O3/c1-24-16-5-3-2-4-13(16)12-18(23)21-15-8-6-14(7-9-15)20-17(22)10-11-19/h2-9H,10,12H2,1H3,(H,20,22)(H,21,23)
InChIKeyKKOGHQDZFXGTJM-UHFFFAOYSA-N
MW323.35 g/mol
LogP2.73
Rot. Bonds6

About 2-cyano-N-[4-[[2-(2-methoxyphenyl)acetyl]amino]phenyl]acetamide

2-cyano-N-[4-[[2-(2-methoxyphenyl)acetyl]amino]phenyl]acetamide (PubChem CID 108922586) has the molecular formula C18H17N3O3 and a molecular weight of 323.35 g/mol. Its IUPAC name is 2-cyano-N-[4-[[2-(2-methoxyphenyl)acetyl]amino]phenyl]acetamide.

Molecular Properties

Compound Name2-cyano-N-[4-[[2-(2-methoxyphenyl)acetyl]amino]phenyl]acetamide
PubChem CID108922586
Molecular FormulaC18H17N3O3
Molecular Weight323.35 g/mol
Exact Mass323.13
IUPAC Name2-cyano-N-[4-[[2-(2-methoxyphenyl)acetyl]amino]phenyl]acetamide
SMILESCOc1ccccc1CC(=O)Nc1ccc(NC(=O)CC#N)cc1
InChIInChI=1S/C18H17N3O3/c1-24-16-5-3-2-4-13(16)12-18(23)21-15-8-6-14(7-9-15)20-17(22)10-11-19/h2-9H,10,12H2,1H3,(H,20,22)(H,21,23)
InChIKeyKKOGHQDZFXGTJM-UHFFFAOYSA-N
XLogP2.73
TPSA91.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-bromophenyl)-2-(2-methoxyphenyl)acetamide
CID 2263112
2-cyano-N-(3-ethyl-4-methoxyphenyl)acetamide
CID 115172874
2-cyano-N-[4-[(2-cyanoacetyl)amino]phenyl]acetamide
CID 5143928
N-(4-methoxy-3-methylphenyl)-2-(2-methoxyphenyl)acetamide
CID 110776428
N-(3-hydroxyphenyl)-2-(2-methoxyphenyl)acetamide
CID 43082666
N-(4-butylphenyl)-2-(2-methoxyphenyl)acetamide
CID 3375192
N-(3-acetylphenyl)-2-(2-methoxyphenyl)acetamide
CID 2711452
2-cyano-N-(3-methoxy-4-phenylphenyl)acetamide
CID 168520198
N-[4-(dimethylsulfamoyl)phenyl]-2-(2-methoxyphenyl)acetamide
CID 2672822
2-cyano-N-[[4-[[2-(3,4-dimethoxyphenyl)acetyl]amino]phenyl]methyl]acetamide
CID 108923308
methyl 2-[4-[(2-cyanoacetyl)amino]phenyl]acetate
CID 83290938
N-(3-chloro-4-methoxyphenyl)-2-cyanoacetamide
CID 3854691

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[4-[[2-(2-methoxyphenyl)acetyl]amino]phenyl]acetamide?
The IUPAC name of 2-cyano-N-[4-[[2-(2-methoxyphenyl)acetyl]amino]phenyl]acetamide (CID 108922586) is 2-cyano-N-[4-[[2-(2-methoxyphenyl)acetyl]amino]phenyl]acetamide.
What is the SMILES notation for 2-cyano-N-[4-[[2-(2-methoxyphenyl)acetyl]amino]phenyl]acetamide?
The canonical SMILES for 2-cyano-N-[4-[[2-(2-methoxyphenyl)acetyl]amino]phenyl]acetamide is COc1ccccc1CC(=O)Nc1ccc(NC(=O)CC#N)cc1.
What is the InChIKey of 2-cyano-N-[4-[[2-(2-methoxyphenyl)acetyl]amino]phenyl]acetamide?
The InChIKey is KKOGHQDZFXGTJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O3/c1-24-16-5-3-2-4-13(16)12-18(23)21-15-8-6-14(7-9-15)20-17(22)10-11-19/h2-9H,10,12H2,1H3,(H,20,22)(H,21,23).
What are the key properties of 2-cyano-N-[4-[[2-(2-methoxyphenyl)acetyl]amino]phenyl]acetamide?
2-cyano-N-[4-[[2-(2-methoxyphenyl)acetyl]amino]phenyl]acetamide has a molecular weight of 323.35 g/mol, XLogP of 2.73, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-[4-[[2-(2-methoxyphenyl)acetyl]amino]phenyl]acetamide is sourced from PubChem (CID 108922586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).