N-(2-cyano-6-methoxyphenyl)-2-(2-methoxyethylamino)acetamide

C13H17N3O3 — CID 107467761

IUPACN-(2-cyano-6-methoxyphenyl)-2-(2-methoxyethylamino)acetamide
SMILESCOCCNCC(=O)Nc1c(C#N)cccc1OC
InChIInChI=1S/C13H17N3O3/c1-18-7-6-15-9-12(17)16-13-10(8-14)4-3-5-11(13)19-2/h3-5,15H,6-7,9H2,1-2H3,(H,16,17)
InChIKeyXMKBCICOTPFNNL-UHFFFAOYSA-N
MW263.30 g/mol
LogP0.74
Rot. Bonds7

About N-(2-cyano-6-methoxyphenyl)-2-(2-methoxyethylamino)acetamide

N-(2-cyano-6-methoxyphenyl)-2-(2-methoxyethylamino)acetamide (PubChem CID 107467761) has the molecular formula C13H17N3O3 and a molecular weight of 263.30 g/mol. Its IUPAC name is N-(2-cyano-6-methoxyphenyl)-2-(2-methoxyethylamino)acetamide.

Molecular Properties

Compound NameN-(2-cyano-6-methoxyphenyl)-2-(2-methoxyethylamino)acetamide
PubChem CID107467761
Molecular FormulaC13H17N3O3
Molecular Weight263.30 g/mol
Exact Mass263.13
IUPAC NameN-(2-cyano-6-methoxyphenyl)-2-(2-methoxyethylamino)acetamide
SMILESCOCCNCC(=O)Nc1c(C#N)cccc1OC
InChIInChI=1S/C13H17N3O3/c1-18-7-6-15-9-12(17)16-13-10(8-14)4-3-5-11(13)19-2/h3-5,15H,6-7,9H2,1-2H3,(H,16,17)
InChIKeyXMKBCICOTPFNNL-UHFFFAOYSA-N
XLogP0.74
TPSA83.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(2-aminoethoxy)-N-(2-cyano-6-methoxyphenyl)acetamide
CID 107467856
N-(2-cyano-6-methoxyphenyl)-2-phenylsulfanylacetamide
CID 107467897
3-methoxy-2-[2-(2-methoxyethoxy)ethylamino]benzonitrile
CID 107467475
2-(3-chlorophenyl)-N-(2-cyano-6-methoxyphenyl)acetamide
CID 107468148
1-butyl-3-(2-cyano-6-methoxyphenyl)urea
CID 107467258
4-(chloromethyl)-N-(2-cyano-6-methoxyphenyl)benzamide
CID 107467181
1-cyano-N-(2-cyano-6-methoxyphenyl)cyclobutane-1-carboxamide
CID 107468358
N-(2-cyano-6-methoxyphenyl)-2,2,2-trifluoroacetamide
CID 107468131
N-(2-cyanoethyl)-2-(2-cyano-6-methoxyanilino)acetamide
CID 107467590
1-(2-cyano-6-methoxyphenyl)-3-pentylurea
CID 10377977
N-(2-cyano-6-methoxyphenyl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide
CID 107467908
N-[2,6-di(propan-2-yl)phenyl]-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119671524

Frequently Asked Questions

What is the IUPAC name of N-(2-cyano-6-methoxyphenyl)-2-(2-methoxyethylamino)acetamide?
The IUPAC name of N-(2-cyano-6-methoxyphenyl)-2-(2-methoxyethylamino)acetamide (CID 107467761) is N-(2-cyano-6-methoxyphenyl)-2-(2-methoxyethylamino)acetamide.
What is the SMILES notation for N-(2-cyano-6-methoxyphenyl)-2-(2-methoxyethylamino)acetamide?
The canonical SMILES for N-(2-cyano-6-methoxyphenyl)-2-(2-methoxyethylamino)acetamide is COCCNCC(=O)Nc1c(C#N)cccc1OC.
What is the InChIKey of N-(2-cyano-6-methoxyphenyl)-2-(2-methoxyethylamino)acetamide?
The InChIKey is XMKBCICOTPFNNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3/c1-18-7-6-15-9-12(17)16-13-10(8-14)4-3-5-11(13)19-2/h3-5,15H,6-7,9H2,1-2H3,(H,16,17).
What are the key properties of N-(2-cyano-6-methoxyphenyl)-2-(2-methoxyethylamino)acetamide?
N-(2-cyano-6-methoxyphenyl)-2-(2-methoxyethylamino)acetamide has a molecular weight of 263.30 g/mol, XLogP of 0.74, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyano-6-methoxyphenyl)-2-(2-methoxyethylamino)acetamide is sourced from PubChem (CID 107467761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).