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

C15H18N2O2 — CID 103888163

IUPAC2-(4-cyanophenyl)-N-(2-methyloxan-4-yl)acetamide
SMILESCC1CC(NC(=O)Cc2ccc(C#N)cc2)CCO1
InChIInChI=1S/C15H18N2O2/c1-11-8-14(6-7-19-11)17-15(18)9-12-2-4-13(10-16)5-3-12/h2-5,11,14H,6-9H2,1H3,(H,17,18)
InChIKeyMHZNQQITUQJESF-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.78
Rot. Bonds3

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

2-(4-cyanophenyl)-N-(2-methyloxan-4-yl)acetamide (PubChem CID 103888163) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 2-(4-cyanophenyl)-N-(2-methyloxan-4-yl)acetamide.

Molecular Properties

Compound Name2-(4-cyanophenyl)-N-(2-methyloxan-4-yl)acetamide
PubChem CID103888163
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name2-(4-cyanophenyl)-N-(2-methyloxan-4-yl)acetamide
SMILESCC1CC(NC(=O)Cc2ccc(C#N)cc2)CCO1
InChIInChI=1S/C15H18N2O2/c1-11-8-14(6-7-19-11)17-15(18)9-12-2-4-13(10-16)5-3-12/h2-5,11,14H,6-9H2,1H3,(H,17,18)
InChIKeyMHZNQQITUQJESF-UHFFFAOYSA-N
XLogP1.78
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-[(2-methyloxan-4-yl)amino]-2-oxoethyl]benzoic acid
CID 120550350
2-anilino-N-(2-methyloxan-4-yl)acetamide
CID 114107774
2-(4-cyanophenyl)-N-[(3S)-2-oxooxolan-3-yl]acetamide
CID 25014867
2-(4-cyanophenyl)-N-(thian-3-yl)acetamide
CID 115674764
2-(4-cyanophenyl)-N-(1-ethylpiperidin-3-yl)acetamide
CID 62404425
2-(4-cyanophenyl)-N-[(4-methylcyclohexyl)methyl]acetamide
CID 62404558
3-[[(2S,4S)-2-methyloxan-4-yl]amino]-4-(trifluoromethyl)benzonitrile
CID 125138104
2-[2-(4-cyanophenyl)acetyl]cyclopropane-1-carboxylic acid
CID 70111090
3-amino-N-(2-methyloxan-4-yl)butanamide;hydrochloride
CID 120873943
4-hydroxy-N-(2-methyloxan-4-yl)benzamide
CID 103889446
1-cyano-N-(2-methyloxan-4-yl)cyclohexane-1-carboxamide
CID 113346655
4-cyano-N-(2-methyloxolan-3-yl)benzamide
CID 82729229

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyanophenyl)-N-(2-methyloxan-4-yl)acetamide?
The IUPAC name of 2-(4-cyanophenyl)-N-(2-methyloxan-4-yl)acetamide (CID 103888163) is 2-(4-cyanophenyl)-N-(2-methyloxan-4-yl)acetamide.
What is the SMILES notation for 2-(4-cyanophenyl)-N-(2-methyloxan-4-yl)acetamide?
The canonical SMILES for 2-(4-cyanophenyl)-N-(2-methyloxan-4-yl)acetamide is CC1CC(NC(=O)Cc2ccc(C#N)cc2)CCO1.
What is the InChIKey of 2-(4-cyanophenyl)-N-(2-methyloxan-4-yl)acetamide?
The InChIKey is MHZNQQITUQJESF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-11-8-14(6-7-19-11)17-15(18)9-12-2-4-13(10-16)5-3-12/h2-5,11,14H,6-9H2,1H3,(H,17,18).
What are the key properties of 2-(4-cyanophenyl)-N-(2-methyloxan-4-yl)acetamide?
2-(4-cyanophenyl)-N-(2-methyloxan-4-yl)acetamide has a molecular weight of 258.32 g/mol, XLogP of 1.78, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyanophenyl)-N-(2-methyloxan-4-yl)acetamide is sourced from PubChem (CID 103888163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).