3-cyano-N-[(3R,4R)-4-(4-cyanophenoxy)oxan-3-yl]benzamide

C20H17N3O3 — CID 91768615

IUPAC3-cyano-N-[(3R,4R)-4-(4-cyanophenoxy)oxan-3-yl]benzamide
SMILESN#Cc1ccc(O[C@@H]2CCOC[C@H]2NC(=O)c2cccc(C#N)c2)cc1
InChIInChI=1S/C20H17N3O3/c21-11-14-4-6-17(7-5-14)26-19-8-9-25-13-18(19)23-20(24)16-3-1-2-15(10-16)12-22/h1-7,10,18-19H,8-9,13H2,(H,23,24)/t18-,19-/m1/s1
InChIKeyDIOHVAYNRPVLPG-RTBURBONSA-N
MW347.37 g/mol
LogP2.40
Rot. Bonds4

About 3-cyano-N-[(3R,4R)-4-(4-cyanophenoxy)oxan-3-yl]benzamide

3-cyano-N-[(3R,4R)-4-(4-cyanophenoxy)oxan-3-yl]benzamide (PubChem CID 91768615) has the molecular formula C20H17N3O3 and a molecular weight of 347.37 g/mol. Its IUPAC name is 3-cyano-N-[(3R,4R)-4-(4-cyanophenoxy)oxan-3-yl]benzamide.

Molecular Properties

Compound Name3-cyano-N-[(3R,4R)-4-(4-cyanophenoxy)oxan-3-yl]benzamide
PubChem CID91768615
Molecular FormulaC20H17N3O3
Molecular Weight347.37 g/mol
Exact Mass347.13
IUPAC Name3-cyano-N-[(3R,4R)-4-(4-cyanophenoxy)oxan-3-yl]benzamide
SMILESN#Cc1ccc(O[C@@H]2CCOC[C@H]2NC(=O)c2cccc(C#N)c2)cc1
InChIInChI=1S/C20H17N3O3/c21-11-14-4-6-17(7-5-14)26-19-8-9-25-13-18(19)23-20(24)16-3-1-2-15(10-16)12-22/h1-7,10,18-19H,8-9,13H2,(H,23,24)/t18-,19-/m1/s1
InChIKeyDIOHVAYNRPVLPG-RTBURBONSA-N
XLogP2.40
TPSA95.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.37
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3R,4R)-4-(4-cyanophenoxy)oxan-3-yl]-2-(3-methoxyphenyl)acetamide
CID 91777220
N-[(3R,4R)-4-(4-cyanophenoxy)oxan-3-yl]-3-cyclopropyl-1,2-oxazole-5-carboxamide
CID 91760636
N-[(3S,4R)-3-(4-cyanophenoxy)oxan-4-yl]-1-methyl-2-oxopyridine-4-carboxamide
CID 91778480
3-cyano-N-(2-methyloxolan-3-yl)benzamide
CID 82728473
N-[(3S,4S)-4-(4-cyanophenoxy)oxan-3-yl]-3-(3-oxo-1,2-oxazol-5-yl)propanamide
CID 164642550
3-cyano-N-(2-methoxycyclopentyl)benzamide
CID 62088957
3-amino-N-[(3S,4R)-3-(4-cyanophenoxy)oxan-4-yl]thiophene-2-carboxamide
CID 91798129
N-[(3R,4R)-4-(4-cyanophenoxy)oxan-3-yl]-3-(1,2-oxazolidin-2-yl)propanamide
CID 91776738
N-[(3R,4R)-4-(4-cyanophenoxy)oxan-3-yl]-2-imidazol-1-ylacetamide
CID 91784559
N-[(3S,4R)-3-(4-cyanophenoxy)oxan-4-yl]-1-propan-2-ylpyrazole-4-carboxamide
CID 91762696
N-[(3R,4S)-4-(3-fluorophenoxy)oxan-3-yl]-1H-pyrrole-3-carboxamide
CID 91786162
3-cyano-N-[(1S,2R)-2-methylcyclohexyl]benzamide
CID 9404837

Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-[(3R,4R)-4-(4-cyanophenoxy)oxan-3-yl]benzamide?
The IUPAC name of 3-cyano-N-[(3R,4R)-4-(4-cyanophenoxy)oxan-3-yl]benzamide (CID 91768615) is 3-cyano-N-[(3R,4R)-4-(4-cyanophenoxy)oxan-3-yl]benzamide.
What is the SMILES notation for 3-cyano-N-[(3R,4R)-4-(4-cyanophenoxy)oxan-3-yl]benzamide?
The canonical SMILES for 3-cyano-N-[(3R,4R)-4-(4-cyanophenoxy)oxan-3-yl]benzamide is N#Cc1ccc(O[C@@H]2CCOC[C@H]2NC(=O)c2cccc(C#N)c2)cc1.
What is the InChIKey of 3-cyano-N-[(3R,4R)-4-(4-cyanophenoxy)oxan-3-yl]benzamide?
The InChIKey is DIOHVAYNRPVLPG-RTBURBONSA-N. The full InChI is InChI=1S/C20H17N3O3/c21-11-14-4-6-17(7-5-14)26-19-8-9-25-13-18(19)23-20(24)16-3-1-2-15(10-16)12-22/h1-7,10,18-19H,8-9,13H2,(H,23,24)/t18-,19-/m1/s1.
What are the key properties of 3-cyano-N-[(3R,4R)-4-(4-cyanophenoxy)oxan-3-yl]benzamide?
3-cyano-N-[(3R,4R)-4-(4-cyanophenoxy)oxan-3-yl]benzamide has a molecular weight of 347.37 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-[(3R,4R)-4-(4-cyanophenoxy)oxan-3-yl]benzamide is sourced from PubChem (CID 91768615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).