N-(3-cyanophenyl)-2-(oxan-4-yloxy)acetamide

C14H16N2O3 — CID 61287978

IUPACN-(3-cyanophenyl)-2-(oxan-4-yloxy)acetamide
SMILESN#Cc1cccc(NC(=O)COC2CCOCC2)c1
InChIInChI=1S/C14H16N2O3/c15-9-11-2-1-3-12(8-11)16-14(17)10-19-13-4-6-18-7-5-13/h1-3,8,13H,4-7,10H2,(H,16,17)
InChIKeyQRHFGWXTZVMUJB-UHFFFAOYSA-N
MW260.29 g/mol
LogP1.69
Rot. Bonds4

About N-(3-cyanophenyl)-2-(oxan-4-yloxy)acetamide

N-(3-cyanophenyl)-2-(oxan-4-yloxy)acetamide (PubChem CID 61287978) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is N-(3-cyanophenyl)-2-(oxan-4-yloxy)acetamide.

Molecular Properties

Compound NameN-(3-cyanophenyl)-2-(oxan-4-yloxy)acetamide
PubChem CID61287978
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC NameN-(3-cyanophenyl)-2-(oxan-4-yloxy)acetamide
SMILESN#Cc1cccc(NC(=O)COC2CCOCC2)c1
InChIInChI=1S/C14H16N2O3/c15-9-11-2-1-3-12(8-11)16-14(17)10-19-13-4-6-18-7-5-13/h1-3,8,13H,4-7,10H2,(H,16,17)
InChIKeyQRHFGWXTZVMUJB-UHFFFAOYSA-N
XLogP1.69
TPSA71.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-cyanophenyl)-2-(oxan-4-ylsulfonyl)acetamide
CID 64690218
N-(3-carbamothioylphenyl)-2-(oxan-4-yloxy)acetamide
CID 61287173
N-(3-cyanophenyl)-2-cyclopropylacetamide
CID 56828279
N-(3-cyanophenyl)-2-hexoxyacetamide
CID 29001724
cis-[2-(3-cyanoanilino)-2-oxoethyl] (1R,2S)-2-methylcyclopropane-1-carboxylate
CID 8020628
2-cyclohexyloxy-N-(3-morpholin-4-ylphenyl)acetamide
CID 87042506
[2-(3-cyanoanilino)-2-oxoethyl] 2-methylpropanoate
CID 7782584
N-(3-cyanophenyl)-2-cycloheptylacetamide
CID 115679873
N'-(3-cyanophenyl)-N-cyclopentylpropanediamide
CID 108942303
N-(3-cyanophenyl)-2-(2-hydroxyphenoxy)acetamide
CID 78769028
1-(3-cyanophenyl)-3-(cyclopropylmethyl)urea
CID 47195799
[2-(3-cyanoanilino)-2-oxoethyl]-cyclooctylazanium
CID 9265356

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanophenyl)-2-(oxan-4-yloxy)acetamide?
The IUPAC name of N-(3-cyanophenyl)-2-(oxan-4-yloxy)acetamide (CID 61287978) is N-(3-cyanophenyl)-2-(oxan-4-yloxy)acetamide.
What is the SMILES notation for N-(3-cyanophenyl)-2-(oxan-4-yloxy)acetamide?
The canonical SMILES for N-(3-cyanophenyl)-2-(oxan-4-yloxy)acetamide is N#Cc1cccc(NC(=O)COC2CCOCC2)c1.
What is the InChIKey of N-(3-cyanophenyl)-2-(oxan-4-yloxy)acetamide?
The InChIKey is QRHFGWXTZVMUJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c15-9-11-2-1-3-12(8-11)16-14(17)10-19-13-4-6-18-7-5-13/h1-3,8,13H,4-7,10H2,(H,16,17).
What are the key properties of N-(3-cyanophenyl)-2-(oxan-4-yloxy)acetamide?
N-(3-cyanophenyl)-2-(oxan-4-yloxy)acetamide has a molecular weight of 260.29 g/mol, XLogP of 1.69, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanophenyl)-2-(oxan-4-yloxy)acetamide is sourced from PubChem (CID 61287978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).