N-(2-cyanophenyl)-2-(oxan-4-yl)acetamide

C14H16N2O2 — CID 110864676

IUPACN-(2-cyanophenyl)-2-(oxan-4-yl)acetamide
SMILESN#Cc1ccccc1NC(=O)CC1CCOCC1
InChIInChI=1S/C14H16N2O2/c15-10-12-3-1-2-4-13(12)16-14(17)9-11-5-7-18-8-6-11/h1-4,11H,5-9H2,(H,16,17)
InChIKeyZNVXBMMUTNBOOV-UHFFFAOYSA-N
MW244.29 g/mol
LogP2.31
Rot. Bonds3

About N-(2-cyanophenyl)-2-(oxan-4-yl)acetamide

N-(2-cyanophenyl)-2-(oxan-4-yl)acetamide (PubChem CID 110864676) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is N-(2-cyanophenyl)-2-(oxan-4-yl)acetamide.

Molecular Properties

Compound NameN-(2-cyanophenyl)-2-(oxan-4-yl)acetamide
PubChem CID110864676
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC NameN-(2-cyanophenyl)-2-(oxan-4-yl)acetamide
SMILESN#Cc1ccccc1NC(=O)CC1CCOCC1
InChIInChI=1S/C14H16N2O2/c15-10-12-3-1-2-4-13(12)16-14(17)9-11-5-7-18-8-6-11/h1-4,11H,5-9H2,(H,16,17)
InChIKeyZNVXBMMUTNBOOV-UHFFFAOYSA-N
XLogP2.31
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-cyanophenyl)-2-(oxan-4-ylmethoxy)acetamide
CID 62382807
2-cyano-N-[2-[[[2-(oxan-4-yl)acetyl]amino]methyl]phenyl]acetamide
CID 108923822
2-(oxan-4-yl)-N-phenylacetamide
CID 110856528
N-[2-(ethylaminomethyl)phenyl]-2-(oxan-4-yl)acetamide
CID 119440769
N-(2-cyanophenyl)-2-[[(2R)-oxolan-2-yl]methylamino]acetamide
CID 1439761
2-cyano-N-[2-[(2-cyclopentylacetyl)amino]phenyl]acetamide
CID 108923007
N'-(2-cyanophenyl)-N-[[1-(oxan-4-yl)piperidin-4-yl]methyl]oxamide
CID 91624117
N-(2-cyanophenyl)-2-cyclohexylsulfonylacetamide
CID 64692861
N-(2-cyanophenyl)-3-hydroxypropanamide
CID 43165059
N-(2-cyanophenyl)-2-[(2R)-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl]acetamide
CID 681566
N'-(2-cyanophenyl)-N-(2-morpholin-4-ylethyl)propanediamide
CID 108944134
N-(2-cyanophenyl)oxolane-2-carboxamide
CID 2948515

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanophenyl)-2-(oxan-4-yl)acetamide?
The IUPAC name of N-(2-cyanophenyl)-2-(oxan-4-yl)acetamide (CID 110864676) is N-(2-cyanophenyl)-2-(oxan-4-yl)acetamide.
What is the SMILES notation for N-(2-cyanophenyl)-2-(oxan-4-yl)acetamide?
The canonical SMILES for N-(2-cyanophenyl)-2-(oxan-4-yl)acetamide is N#Cc1ccccc1NC(=O)CC1CCOCC1.
What is the InChIKey of N-(2-cyanophenyl)-2-(oxan-4-yl)acetamide?
The InChIKey is ZNVXBMMUTNBOOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c15-10-12-3-1-2-4-13(12)16-14(17)9-11-5-7-18-8-6-11/h1-4,11H,5-9H2,(H,16,17).
What are the key properties of N-(2-cyanophenyl)-2-(oxan-4-yl)acetamide?
N-(2-cyanophenyl)-2-(oxan-4-yl)acetamide has a molecular weight of 244.29 g/mol, XLogP of 2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanophenyl)-2-(oxan-4-yl)acetamide is sourced from PubChem (CID 110864676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).