2-cyano-N-[(3S,4R)-3-methoxyoxan-4-yl]benzamide

C14H16N2O3 — CID 91770020

IUPAC2-cyano-N-[(3S,4R)-3-methoxyoxan-4-yl]benzamide
SMILESCO[C@@H]1COCC[C@H]1NC(=O)c1ccccc1C#N
InChIInChI=1S/C14H16N2O3/c1-18-13-9-19-7-6-12(13)16-14(17)11-5-3-2-4-10(11)8-15/h2-5,12-13H,6-7,9H2,1H3,(H,16,17)/t12-,13-/m1/s1
InChIKeyLYGIIFOPSZRZNY-CHWSQXEVSA-N
MW260.29 g/mol
LogP1.09
Rot. Bonds3

About 2-cyano-N-[(3S,4R)-3-methoxyoxan-4-yl]benzamide

2-cyano-N-[(3S,4R)-3-methoxyoxan-4-yl]benzamide (PubChem CID 91770020) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is 2-cyano-N-[(3S,4R)-3-methoxyoxan-4-yl]benzamide.

Molecular Properties

Compound Name2-cyano-N-[(3S,4R)-3-methoxyoxan-4-yl]benzamide
PubChem CID91770020
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Name2-cyano-N-[(3S,4R)-3-methoxyoxan-4-yl]benzamide
SMILESCO[C@@H]1COCC[C@H]1NC(=O)c1ccccc1C#N
InChIInChI=1S/C14H16N2O3/c1-18-13-9-19-7-6-12(13)16-14(17)11-5-3-2-4-10(11)8-15/h2-5,12-13H,6-7,9H2,1H3,(H,16,17)/t12-,13-/m1/s1
InChIKeyLYGIIFOPSZRZNY-CHWSQXEVSA-N
XLogP1.09
TPSA71.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3S,4R)-3-methoxyoxan-4-yl]-1,2,5-trimethylpyrrole-3-carboxamide
CID 91780552
3-chloro-N-[(3S,4R)-3-methoxyoxan-4-yl]pyridine-4-carboxamide
CID 91781029
4-(2-hydroxyethylsulfanyl)-N-[(3S,4R)-3-methoxyoxan-4-yl]benzamide
CID 91762413
6-methoxy-N-[(3S,4R)-3-methoxyoxan-4-yl]pyridine-3-carboxamide
CID 91793620
3-(2-ethoxyethoxy)-N-[(3S,4R)-3-methoxyoxan-4-yl]benzamide
CID 91761869
2-cyano-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]benzamide
CID 118781498
2,6-difluoro-N-[(3S,4R)-3-methoxyoxan-4-yl]-3-methylbenzamide
CID 91788905
N-[(3S,4R)-3-methoxyoxan-4-yl]-4-(4-propylphenyl)benzamide
CID 91762361
2-chloro-5-methoxy-N-[(3S,4R)-3-methoxyoxan-4-yl]-4-propan-2-yloxybenzamide
CID 91789115
3-ethyl-N-[(3S,4R)-3-methoxyoxan-4-yl]-1H-indole-2-carboxamide
CID 91772747
6-cyano-N-[(3R,4R)-4-methoxyoxan-3-yl]pyridine-3-carboxamide
CID 91831669
N-[(3R,4R)-4-methoxyoxan-3-yl]-2-phenylmethoxybenzamide
CID 91767554

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[(3S,4R)-3-methoxyoxan-4-yl]benzamide?
The IUPAC name of 2-cyano-N-[(3S,4R)-3-methoxyoxan-4-yl]benzamide (CID 91770020) is 2-cyano-N-[(3S,4R)-3-methoxyoxan-4-yl]benzamide.
What is the SMILES notation for 2-cyano-N-[(3S,4R)-3-methoxyoxan-4-yl]benzamide?
The canonical SMILES for 2-cyano-N-[(3S,4R)-3-methoxyoxan-4-yl]benzamide is CO[C@@H]1COCC[C@H]1NC(=O)c1ccccc1C#N.
What is the InChIKey of 2-cyano-N-[(3S,4R)-3-methoxyoxan-4-yl]benzamide?
The InChIKey is LYGIIFOPSZRZNY-CHWSQXEVSA-N. The full InChI is InChI=1S/C14H16N2O3/c1-18-13-9-19-7-6-12(13)16-14(17)11-5-3-2-4-10(11)8-15/h2-5,12-13H,6-7,9H2,1H3,(H,16,17)/t12-,13-/m1/s1.
What are the key properties of 2-cyano-N-[(3S,4R)-3-methoxyoxan-4-yl]benzamide?
2-cyano-N-[(3S,4R)-3-methoxyoxan-4-yl]benzamide has a molecular weight of 260.29 g/mol, XLogP of 1.09, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-[(3S,4R)-3-methoxyoxan-4-yl]benzamide is sourced from PubChem (CID 91770020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).