N-[(3R,4S)-4-(2-amino-2-oxoethoxy)oxan-3-yl]-2-(3,4-dimethylphenyl)acetamide

C17H24N2O4 — CID 91775491

IUPACN-[(3R,4S)-4-(2-amino-2-oxoethoxy)oxan-3-yl]-2-(3,4-dimethylphenyl)acetamide
SMILESCc1ccc(CC(=O)N[C@@H]2COCC[C@@H]2OCC(N)=O)cc1C
InChIInChI=1S/C17H24N2O4/c1-11-3-4-13(7-12(11)2)8-17(21)19-14-9-22-6-5-15(14)23-10-16(18)20/h3-4,7,14-15H,5-6,8-10H2,1-2H3,(H2,18,20)(H,19,21)/t14-,15+/m1/s1
InChIKeyNSSWNXXBZSGFNI-CABCVRRESA-N
MW320.39 g/mol
LogP0.62
Rot. Bonds6

About N-[(3R,4S)-4-(2-amino-2-oxoethoxy)oxan-3-yl]-2-(3,4-dimethylphenyl)acetamide

N-[(3R,4S)-4-(2-amino-2-oxoethoxy)oxan-3-yl]-2-(3,4-dimethylphenyl)acetamide (PubChem CID 91775491) has the molecular formula C17H24N2O4 and a molecular weight of 320.39 g/mol. Its IUPAC name is N-[(3R,4S)-4-(2-amino-2-oxoethoxy)oxan-3-yl]-2-(3,4-dimethylphenyl)acetamide.

Molecular Properties

Compound NameN-[(3R,4S)-4-(2-amino-2-oxoethoxy)oxan-3-yl]-2-(3,4-dimethylphenyl)acetamide
PubChem CID91775491
Molecular FormulaC17H24N2O4
Molecular Weight320.39 g/mol
Exact Mass320.17
IUPAC NameN-[(3R,4S)-4-(2-amino-2-oxoethoxy)oxan-3-yl]-2-(3,4-dimethylphenyl)acetamide
SMILESCc1ccc(CC(=O)N[C@@H]2COCC[C@@H]2OCC(N)=O)cc1C
InChIInChI=1S/C17H24N2O4/c1-11-3-4-13(7-12(11)2)8-17(21)19-14-9-22-6-5-15(14)23-10-16(18)20/h3-4,7,14-15H,5-6,8-10H2,1-2H3,(H2,18,20)(H,19,21)/t14-,15+/m1/s1
InChIKeyNSSWNXXBZSGFNI-CABCVRRESA-N
XLogP0.62
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3R,4S)-4-(2-amino-2-oxoethoxy)oxan-3-yl]-3-(2-methoxyphenyl)propanamide
CID 91765241
2-(3-chloro-4-hydroxyphenyl)-N-[(3R,4S)-4-[2-(dimethylamino)-2-oxoethoxy]oxan-3-yl]acetamide
CID 90650186
N-[(3R,4S)-4-(2-amino-2-oxoethoxy)oxan-3-yl]-2-(benzotriazol-2-yl)acetamide
CID 90653846
N-[(3R,4S)-4-(2-amino-2-oxoethoxy)oxan-3-yl]-4-fluorobenzamide
CID 91767703
N-[(3R,4S)-4-[2-(dimethylamino)ethoxy]oxan-3-yl]-2-(2,5-dimethylphenyl)acetamide
CID 91761241
2-[(3S,4R)-3-[2-(2-fluorophenyl)ethylcarbamoylamino]oxan-4-yl]oxyacetamide
CID 133265962
N-[(3R,4S)-4-[2-(dimethylamino)-2-oxoethoxy]oxan-3-yl]-2-(3-methoxyphenyl)acetamide
CID 91766384
2-(1,3-benzodioxol-5-yl)-N-[(3R,4S)-4-(3-methylbut-2-enoxy)oxan-3-yl]acetamide
CID 91770717
N-[(1R,2R)-2-aminocyclohexyl]-2-(3,4-dimethylphenyl)acetamide
CID 94471268
2-(3-fluorophenyl)-N-[(3R,4R)-4-methoxyoxan-3-yl]acetamide
CID 91787465
N-[(3R,4S)-4-(2-amino-2-oxoethoxy)oxan-3-yl]-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide
CID 91772759
2-(3-fluorophenyl)-N-[(3R,4S)-4-phenylmethoxyoxan-3-yl]acetamide
CID 91785233

Frequently Asked Questions

What is the IUPAC name of N-[(3R,4S)-4-(2-amino-2-oxoethoxy)oxan-3-yl]-2-(3,4-dimethylphenyl)acetamide?
The IUPAC name of N-[(3R,4S)-4-(2-amino-2-oxoethoxy)oxan-3-yl]-2-(3,4-dimethylphenyl)acetamide (CID 91775491) is N-[(3R,4S)-4-(2-amino-2-oxoethoxy)oxan-3-yl]-2-(3,4-dimethylphenyl)acetamide.
What is the SMILES notation for N-[(3R,4S)-4-(2-amino-2-oxoethoxy)oxan-3-yl]-2-(3,4-dimethylphenyl)acetamide?
The canonical SMILES for N-[(3R,4S)-4-(2-amino-2-oxoethoxy)oxan-3-yl]-2-(3,4-dimethylphenyl)acetamide is Cc1ccc(CC(=O)N[C@@H]2COCC[C@@H]2OCC(N)=O)cc1C.
What is the InChIKey of N-[(3R,4S)-4-(2-amino-2-oxoethoxy)oxan-3-yl]-2-(3,4-dimethylphenyl)acetamide?
The InChIKey is NSSWNXXBZSGFNI-CABCVRRESA-N. The full InChI is InChI=1S/C17H24N2O4/c1-11-3-4-13(7-12(11)2)8-17(21)19-14-9-22-6-5-15(14)23-10-16(18)20/h3-4,7,14-15H,5-6,8-10H2,1-2H3,(H2,18,20)(H,19,21)/t14-,15+/m1/s1.
What are the key properties of N-[(3R,4S)-4-(2-amino-2-oxoethoxy)oxan-3-yl]-2-(3,4-dimethylphenyl)acetamide?
N-[(3R,4S)-4-(2-amino-2-oxoethoxy)oxan-3-yl]-2-(3,4-dimethylphenyl)acetamide has a molecular weight of 320.39 g/mol, XLogP of 0.62, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4S)-4-(2-amino-2-oxoethoxy)oxan-3-yl]-2-(3,4-dimethylphenyl)acetamide is sourced from PubChem (CID 91775491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).