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

C15H18N2O3 — CID 62382807

IUPACN-(2-cyanophenyl)-2-(oxan-4-ylmethoxy)acetamide
SMILESN#Cc1ccccc1NC(=O)COCC1CCOCC1
InChIInChI=1S/C15H18N2O3/c16-9-13-3-1-2-4-14(13)17-15(18)11-20-10-12-5-7-19-8-6-12/h1-4,12H,5-8,10-11H2,(H,17,18)
InChIKeyQAHNXYYPFZIAJE-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.94
Rot. Bonds5

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

N-(2-cyanophenyl)-2-(oxan-4-ylmethoxy)acetamide (PubChem CID 62382807) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is N-(2-cyanophenyl)-2-(oxan-4-ylmethoxy)acetamide.

Molecular Properties

Compound NameN-(2-cyanophenyl)-2-(oxan-4-ylmethoxy)acetamide
PubChem CID62382807
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC NameN-(2-cyanophenyl)-2-(oxan-4-ylmethoxy)acetamide
SMILESN#Cc1ccccc1NC(=O)COCC1CCOCC1
InChIInChI=1S/C15H18N2O3/c16-9-13-3-1-2-4-14(13)17-15(18)11-20-10-12-5-7-19-8-6-12/h1-4,12H,5-8,10-11H2,(H,17,18)
InChIKeyQAHNXYYPFZIAJE-UHFFFAOYSA-N
XLogP1.94
TPSA71.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-cyanophenyl)-2-(oxan-4-yl)acetamide
CID 110864676
N-(2-cyanophenyl)-2-(4-methylpentoxy)acetamide
CID 29001628
N'-(2-cyanophenyl)-N-[[1-(oxan-4-yl)piperidin-4-yl]methyl]oxamide
CID 91624117
2-[2-[[2-(cyclopropylmethoxy)acetyl]amino]phenyl]acetic acid
CID 119218359
N-(2-cyanophenyl)-2-(2,2,3,3-tetrafluoropropoxy)acetamide
CID 29004789
N-(4-amino-2-methoxyphenyl)-2-(oxan-4-ylmethoxy)acetamide
CID 62381831
[2-(2-cyanoanilino)-2-oxoethyl] 2-ethoxyacetate
CID 2564011
2-cyano-N-[2-[[[2-(oxan-4-yl)acetyl]amino]methyl]phenyl]acetamide
CID 108923822
N-(3-carbamothioylphenyl)-2-(oxan-4-ylmethoxy)acetamide
CID 62384098
N-(2-cyanophenyl)-2-(cyclopropylmethoxy)propanamide
CID 43188643
[2-(2-cyanoanilino)-2-oxoethyl] (3R)-2,3-dihydro-1,4-benzodioxine-3-carboxylate
CID 2614769
N-(2-cyanophenyl)-2-[[(2R)-oxolan-2-yl]methylamino]acetamide
CID 1439761

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanophenyl)-2-(oxan-4-ylmethoxy)acetamide?
The IUPAC name of N-(2-cyanophenyl)-2-(oxan-4-ylmethoxy)acetamide (CID 62382807) is N-(2-cyanophenyl)-2-(oxan-4-ylmethoxy)acetamide.
What is the SMILES notation for N-(2-cyanophenyl)-2-(oxan-4-ylmethoxy)acetamide?
The canonical SMILES for N-(2-cyanophenyl)-2-(oxan-4-ylmethoxy)acetamide is N#Cc1ccccc1NC(=O)COCC1CCOCC1.
What is the InChIKey of N-(2-cyanophenyl)-2-(oxan-4-ylmethoxy)acetamide?
The InChIKey is QAHNXYYPFZIAJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c16-9-13-3-1-2-4-14(13)17-15(18)11-20-10-12-5-7-19-8-6-12/h1-4,12H,5-8,10-11H2,(H,17,18).
What are the key properties of N-(2-cyanophenyl)-2-(oxan-4-ylmethoxy)acetamide?
N-(2-cyanophenyl)-2-(oxan-4-ylmethoxy)acetamide has a molecular weight of 274.32 g/mol, XLogP of 1.94, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanophenyl)-2-(oxan-4-ylmethoxy)acetamide is sourced from PubChem (CID 62382807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).