N-(4-cyanophenyl)-2-[methyl-(2-methyloxolan-3-yl)amino]acetamide

C15H19N3O2 — CID 82738996

IUPACN-(4-cyanophenyl)-2-[methyl-(2-methyloxolan-3-yl)amino]acetamide
SMILESCC1OCCC1N(C)CC(=O)Nc1ccc(C#N)cc1
InChIInChI=1S/C15H19N3O2/c1-11-14(7-8-20-11)18(2)10-15(19)17-13-5-3-12(9-16)4-6-13/h3-6,11,14H,7-8,10H2,1-2H3,(H,17,19)
InChIKeyZSUJNECEZPJPIW-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.61
Rot. Bonds4

About N-(4-cyanophenyl)-2-[methyl-(2-methyloxolan-3-yl)amino]acetamide

N-(4-cyanophenyl)-2-[methyl-(2-methyloxolan-3-yl)amino]acetamide (PubChem CID 82738996) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is N-(4-cyanophenyl)-2-[methyl-(2-methyloxolan-3-yl)amino]acetamide.

Molecular Properties

Compound NameN-(4-cyanophenyl)-2-[methyl-(2-methyloxolan-3-yl)amino]acetamide
PubChem CID82738996
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC NameN-(4-cyanophenyl)-2-[methyl-(2-methyloxolan-3-yl)amino]acetamide
SMILESCC1OCCC1N(C)CC(=O)Nc1ccc(C#N)cc1
InChIInChI=1S/C15H19N3O2/c1-11-14(7-8-20-11)18(2)10-15(19)17-13-5-3-12(9-16)4-6-13/h3-6,11,14H,7-8,10H2,1-2H3,(H,17,19)
InChIKeyZSUJNECEZPJPIW-UHFFFAOYSA-N
XLogP1.61
TPSA65.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-cyanophenyl)-2-[cyclopropyl(methyl)amino]acetamide
CID 43243615
N-(4-cyanophenyl)-2-[methyl(piperidin-4-yl)amino]acetamide
CID 43607310
2-[acetyl(tert-butyl)amino]-N-(4-cyanophenyl)acetamide
CID 113166246
2-[[2-(4-cyanoanilino)-2-oxoethyl]-methylamino]-N-methylacetamide
CID 43216434
N-(2-amino-4-fluorophenyl)-2-[methyl-(2-methyloxolan-3-yl)amino]acetamide
CID 82732986
N-(4-cyanophenyl)-2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]acetamide
CID 8712093
2-[2-aminoethyl(methyl)amino]-N-(4-cyanophenyl)acetamide
CID 62686451
N,N'-bis(4-cyanophenyl)propanediamide
CID 108956949
N-(4-cyanophenyl)-4-[cyclopropyl(methyl)amino]butanamide
CID 43264950
2-[[2-(4-cyanoanilino)-2-oxoethyl]-methylamino]-2-methylpropanoic acid
CID 62822509
N-(4-cyanophenyl)-2-[ethyl(propyl)amino]acetamide
CID 43268748
N-(4-cyanophenyl)-2-(4-fluoro-N-methylanilino)acetamide
CID 60977237

Frequently Asked Questions

What is the IUPAC name of N-(4-cyanophenyl)-2-[methyl-(2-methyloxolan-3-yl)amino]acetamide?
The IUPAC name of N-(4-cyanophenyl)-2-[methyl-(2-methyloxolan-3-yl)amino]acetamide (CID 82738996) is N-(4-cyanophenyl)-2-[methyl-(2-methyloxolan-3-yl)amino]acetamide.
What is the SMILES notation for N-(4-cyanophenyl)-2-[methyl-(2-methyloxolan-3-yl)amino]acetamide?
The canonical SMILES for N-(4-cyanophenyl)-2-[methyl-(2-methyloxolan-3-yl)amino]acetamide is CC1OCCC1N(C)CC(=O)Nc1ccc(C#N)cc1.
What is the InChIKey of N-(4-cyanophenyl)-2-[methyl-(2-methyloxolan-3-yl)amino]acetamide?
The InChIKey is ZSUJNECEZPJPIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-11-14(7-8-20-11)18(2)10-15(19)17-13-5-3-12(9-16)4-6-13/h3-6,11,14H,7-8,10H2,1-2H3,(H,17,19).
What are the key properties of N-(4-cyanophenyl)-2-[methyl-(2-methyloxolan-3-yl)amino]acetamide?
N-(4-cyanophenyl)-2-[methyl-(2-methyloxolan-3-yl)amino]acetamide has a molecular weight of 273.34 g/mol, XLogP of 1.61, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanophenyl)-2-[methyl-(2-methyloxolan-3-yl)amino]acetamide is sourced from PubChem (CID 82738996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).