N-[(3R,4R)-4-(4-cyanophenoxy)oxan-3-yl]-2-(3-methoxyphenyl)acetamide

C21H22N2O4 — CID 91777220

IUPACN-[(3R,4R)-4-(4-cyanophenoxy)oxan-3-yl]-2-(3-methoxyphenyl)acetamide
SMILESCOc1cccc(CC(=O)N[C@@H]2COCC[C@H]2Oc2ccc(C#N)cc2)c1
InChIInChI=1S/C21H22N2O4/c1-25-18-4-2-3-16(11-18)12-21(24)23-19-14-26-10-9-20(19)27-17-7-5-15(13-22)6-8-17/h2-8,11,19-20H,9-10,12,14H2,1H3,(H,23,24)/t19-,20-/m1/s1
InChIKeyPXFWBHXDIMRVTG-WOJBJXKFSA-N
MW366.42 g/mol
LogP2.46
Rot. Bonds6

About N-[(3R,4R)-4-(4-cyanophenoxy)oxan-3-yl]-2-(3-methoxyphenyl)acetamide

N-[(3R,4R)-4-(4-cyanophenoxy)oxan-3-yl]-2-(3-methoxyphenyl)acetamide (PubChem CID 91777220) has the molecular formula C21H22N2O4 and a molecular weight of 366.42 g/mol. Its IUPAC name is N-[(3R,4R)-4-(4-cyanophenoxy)oxan-3-yl]-2-(3-methoxyphenyl)acetamide.

Molecular Properties

Compound NameN-[(3R,4R)-4-(4-cyanophenoxy)oxan-3-yl]-2-(3-methoxyphenyl)acetamide
PubChem CID91777220
Molecular FormulaC21H22N2O4
Molecular Weight366.42 g/mol
Exact Mass366.16
IUPAC NameN-[(3R,4R)-4-(4-cyanophenoxy)oxan-3-yl]-2-(3-methoxyphenyl)acetamide
SMILESCOc1cccc(CC(=O)N[C@@H]2COCC[C@H]2Oc2ccc(C#N)cc2)c1
InChIInChI=1S/C21H22N2O4/c1-25-18-4-2-3-16(11-18)12-21(24)23-19-14-26-10-9-20(19)27-17-7-5-15(13-22)6-8-17/h2-8,11,19-20H,9-10,12,14H2,1H3,(H,23,24)/t19-,20-/m1/s1
InChIKeyPXFWBHXDIMRVTG-WOJBJXKFSA-N
XLogP2.46
TPSA80.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-cyano-N-[(3R,4R)-4-(4-cyanophenoxy)oxan-3-yl]benzamide
CID 91768615
N-[(3R,4S)-4-[2-(dimethylamino)-2-oxoethoxy]oxan-3-yl]-2-(3-methoxyphenyl)acetamide
CID 91766384
N-[(3S,4S)-4-(4-cyanophenoxy)oxan-3-yl]-3-(3-oxo-1,2-oxazol-5-yl)propanamide
CID 164642550
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-[(3R,4R)-4-(4-cyanophenoxy)oxan-3-yl]-2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 91772381
N-[(3R,4R)-4-(4-cyanophenoxy)oxan-3-yl]-3-cyclopropyl-1,2-oxazole-5-carboxamide
CID 91760636
2-(3-fluorophenyl)-N-[(3R,4R)-4-methoxyoxan-3-yl]acetamide
CID 91787465
N-[(3R,4R)-4-(4-cyanophenoxy)oxan-3-yl]-3-(2,4-dioxopyrimidin-1-yl)propanamide
CID 91797996
2-ethoxy-N-[4-(3-fluorophenoxy)oxan-3-yl]acetamide
CID 156609137
N-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-2-(3-methoxyphenyl)acetamide
CID 135118851
N-ethyl-2-(3-methoxyphenyl)-N-[[(3S)-oxolan-3-yl]methyl]acetamide
CID 94186811

Frequently Asked Questions

What is the IUPAC name of N-[(3R,4R)-4-(4-cyanophenoxy)oxan-3-yl]-2-(3-methoxyphenyl)acetamide?
The IUPAC name of N-[(3R,4R)-4-(4-cyanophenoxy)oxan-3-yl]-2-(3-methoxyphenyl)acetamide (CID 91777220) is N-[(3R,4R)-4-(4-cyanophenoxy)oxan-3-yl]-2-(3-methoxyphenyl)acetamide.
What is the SMILES notation for N-[(3R,4R)-4-(4-cyanophenoxy)oxan-3-yl]-2-(3-methoxyphenyl)acetamide?
The canonical SMILES for N-[(3R,4R)-4-(4-cyanophenoxy)oxan-3-yl]-2-(3-methoxyphenyl)acetamide is COc1cccc(CC(=O)N[C@@H]2COCC[C@H]2Oc2ccc(C#N)cc2)c1.
What is the InChIKey of N-[(3R,4R)-4-(4-cyanophenoxy)oxan-3-yl]-2-(3-methoxyphenyl)acetamide?
The InChIKey is PXFWBHXDIMRVTG-WOJBJXKFSA-N. The full InChI is InChI=1S/C21H22N2O4/c1-25-18-4-2-3-16(11-18)12-21(24)23-19-14-26-10-9-20(19)27-17-7-5-15(13-22)6-8-17/h2-8,11,19-20H,9-10,12,14H2,1H3,(H,23,24)/t19-,20-/m1/s1.
What are the key properties of N-[(3R,4R)-4-(4-cyanophenoxy)oxan-3-yl]-2-(3-methoxyphenyl)acetamide?
N-[(3R,4R)-4-(4-cyanophenoxy)oxan-3-yl]-2-(3-methoxyphenyl)acetamide has a molecular weight of 366.42 g/mol, XLogP of 2.46, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4R)-4-(4-cyanophenoxy)oxan-3-yl]-2-(3-methoxyphenyl)acetamide is sourced from PubChem (CID 91777220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).