N-(2-cyanopropan-2-yl)-2-(3-methoxyphenyl)acetamide

C13H16N2O2 — CID 54904477

IUPACN-(2-cyanopropan-2-yl)-2-(3-methoxyphenyl)acetamide
SMILESCOc1cccc(CC(=O)NC(C)(C)C#N)c1
InChIInChI=1S/C13H16N2O2/c1-13(2,9-14)15-12(16)8-10-5-4-6-11(7-10)17-3/h4-7H,8H2,1-3H3,(H,15,16)
InChIKeyLHLDUDDXVZXFIZ-UHFFFAOYSA-N
MW232.28 g/mol
LogP1.66
Rot. Bonds4

About N-(2-cyanopropan-2-yl)-2-(3-methoxyphenyl)acetamide

N-(2-cyanopropan-2-yl)-2-(3-methoxyphenyl)acetamide (PubChem CID 54904477) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is N-(2-cyanopropan-2-yl)-2-(3-methoxyphenyl)acetamide.

Molecular Properties

Compound NameN-(2-cyanopropan-2-yl)-2-(3-methoxyphenyl)acetamide
PubChem CID54904477
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC NameN-(2-cyanopropan-2-yl)-2-(3-methoxyphenyl)acetamide
SMILESCOc1cccc(CC(=O)NC(C)(C)C#N)c1
InChIInChI=1S/C13H16N2O2/c1-13(2,9-14)15-12(16)8-10-5-4-6-11(7-10)17-3/h4-7H,8H2,1-3H3,(H,15,16)
InChIKeyLHLDUDDXVZXFIZ-UHFFFAOYSA-N
XLogP1.66
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-(3-methoxyphenyl)acetyl]amino]-2-phenylbutanoic acid
CID 119201964
2-(3-methoxyphenyl)-N-phenylacetamide
CID 2598681
2-(3-methoxyphenyl)-N-(3-methylbutan-2-yl)acetamide
CID 78799670
2-cyano-N-[(3-methoxyphenyl)methyl]acetamide
CID 55134556
N-(4-hydroxy-2,2-dimethylbutyl)-2-(3-methoxyphenyl)acetamide
CID 103772274
N-(4-amino-2,2-dimethylbutyl)-2-(3-methoxyphenyl)acetamide
CID 106140187
N-[4-(cyanomethoxy)phenyl]-2-(3-methoxyphenyl)acetamide
CID 30874438
1,1,1-trifluoro-3-(3-methoxyphenyl)propan-2-one
CID 24726859
3-hydroxy-1-(3-methoxyphenyl)-3-methylpentan-2-one
CID 103446663
2-(3-methoxyphenyl)-N-pyrrol-1-ylacetamide
CID 123679557
2-chloro-N-[1-(3-methoxyphenyl)-2-methylpropan-2-yl]acetamide
CID 94691468
2,2,2-trifluoro-N-[2-[[2-(3-methoxyphenyl)acetyl]amino]phenyl]acetamide
CID 108933536

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanopropan-2-yl)-2-(3-methoxyphenyl)acetamide?
The IUPAC name of N-(2-cyanopropan-2-yl)-2-(3-methoxyphenyl)acetamide (CID 54904477) is N-(2-cyanopropan-2-yl)-2-(3-methoxyphenyl)acetamide.
What is the SMILES notation for N-(2-cyanopropan-2-yl)-2-(3-methoxyphenyl)acetamide?
The canonical SMILES for N-(2-cyanopropan-2-yl)-2-(3-methoxyphenyl)acetamide is COc1cccc(CC(=O)NC(C)(C)C#N)c1.
What is the InChIKey of N-(2-cyanopropan-2-yl)-2-(3-methoxyphenyl)acetamide?
The InChIKey is LHLDUDDXVZXFIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c1-13(2,9-14)15-12(16)8-10-5-4-6-11(7-10)17-3/h4-7H,8H2,1-3H3,(H,15,16).
What are the key properties of N-(2-cyanopropan-2-yl)-2-(3-methoxyphenyl)acetamide?
N-(2-cyanopropan-2-yl)-2-(3-methoxyphenyl)acetamide has a molecular weight of 232.28 g/mol, XLogP of 1.66, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanopropan-2-yl)-2-(3-methoxyphenyl)acetamide is sourced from PubChem (CID 54904477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).