N-[(3-cyanophenyl)methyl]-2-(oxolan-2-yl)acetamide

C14H16N2O2 — CID 60769167

IUPACN-[(3-cyanophenyl)methyl]-2-(oxolan-2-yl)acetamide
SMILESN#Cc1cccc(CNC(=O)CC2CCCO2)c1
InChIInChI=1S/C14H16N2O2/c15-9-11-3-1-4-12(7-11)10-16-14(17)8-13-5-2-6-18-13/h1,3-4,7,13H,2,5-6,8,10H2,(H,16,17)
InChIKeyANRCBNRUJMSXTJ-UHFFFAOYSA-N
MW244.29 g/mol
LogP1.74
Rot. Bonds4

About N-[(3-cyanophenyl)methyl]-2-(oxolan-2-yl)acetamide

N-[(3-cyanophenyl)methyl]-2-(oxolan-2-yl)acetamide (PubChem CID 60769167) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is N-[(3-cyanophenyl)methyl]-2-(oxolan-2-yl)acetamide.

Molecular Properties

Compound NameN-[(3-cyanophenyl)methyl]-2-(oxolan-2-yl)acetamide
PubChem CID60769167
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC NameN-[(3-cyanophenyl)methyl]-2-(oxolan-2-yl)acetamide
SMILESN#Cc1cccc(CNC(=O)CC2CCCO2)c1
InChIInChI=1S/C14H16N2O2/c15-9-11-3-1-4-12(7-11)10-16-14(17)8-13-5-2-6-18-13/h1,3-4,7,13H,2,5-6,8,10H2,(H,16,17)
InChIKeyANRCBNRUJMSXTJ-UHFFFAOYSA-N
XLogP1.74
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[3-(methylsulfanylmethyl)phenyl]methyl]-2-[(2S)-oxolan-2-yl]acetamide
CID 99828041
3-[3-[[[2-(oxolan-2-yl)acetyl]amino]methyl]phenyl]prop-2-enoic acid
CID 77057754
2-[(2S)-oxolan-2-yl]-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]acetamide
CID 94130282
N-[(3-cyanophenyl)methyl]-2-piperidin-3-ylacetamide
CID 62676322
N-[(3-cyanophenyl)methyl]cyclopentanecarboxamide
CID 47161592
2-(3-cyanoanilino)-N-(oxolan-2-ylmethyl)acetamide
CID 108994419
N-(2-bromo-4-cyanophenyl)-2-(oxolan-2-yl)acetamide
CID 113234651
N-[(3-cyanophenyl)methyl]-N-methyl-2-(oxolan-2-ylmethoxy)acetamide
CID 86868338
N-[(3-methylphenyl)methyl]-2-(oxolan-2-ylmethylamino)acetamide
CID 108994238
2-benzyl-N-[(3-cyanophenyl)methyl]morpholine-4-carboxamide
CID 84596545
1-[(3-cyanophenyl)methyl]-3-cyclohexylurea
CID 47216904
N'-[(3-methylphenyl)methyl]-N-(oxolan-2-ylmethyl)propanediamide
CID 108943614

Frequently Asked Questions

What is the IUPAC name of N-[(3-cyanophenyl)methyl]-2-(oxolan-2-yl)acetamide?
The IUPAC name of N-[(3-cyanophenyl)methyl]-2-(oxolan-2-yl)acetamide (CID 60769167) is N-[(3-cyanophenyl)methyl]-2-(oxolan-2-yl)acetamide.
What is the SMILES notation for N-[(3-cyanophenyl)methyl]-2-(oxolan-2-yl)acetamide?
The canonical SMILES for N-[(3-cyanophenyl)methyl]-2-(oxolan-2-yl)acetamide is N#Cc1cccc(CNC(=O)CC2CCCO2)c1.
What is the InChIKey of N-[(3-cyanophenyl)methyl]-2-(oxolan-2-yl)acetamide?
The InChIKey is ANRCBNRUJMSXTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c15-9-11-3-1-4-12(7-11)10-16-14(17)8-13-5-2-6-18-13/h1,3-4,7,13H,2,5-6,8,10H2,(H,16,17).
What are the key properties of N-[(3-cyanophenyl)methyl]-2-(oxolan-2-yl)acetamide?
N-[(3-cyanophenyl)methyl]-2-(oxolan-2-yl)acetamide has a molecular weight of 244.29 g/mol, XLogP of 1.74, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-cyanophenyl)methyl]-2-(oxolan-2-yl)acetamide is sourced from PubChem (CID 60769167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).