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

C17H24N2O5 — CID 91765241

IUPACN-[(3R,4S)-4-(2-amino-2-oxoethoxy)oxan-3-yl]-3-(2-methoxyphenyl)propanamide
SMILESCOc1ccccc1CCC(=O)N[C@@H]1COCC[C@@H]1OCC(N)=O
InChIInChI=1S/C17H24N2O5/c1-22-14-5-3-2-4-12(14)6-7-17(21)19-13-10-23-9-8-15(13)24-11-16(18)20/h2-5,13,15H,6-11H2,1H3,(H2,18,20)(H,19,21)/t13-,15+/m1/s1
InChIKeyMLEVPEDJXNRRIQ-HIFRSBDPSA-N
MW336.39 g/mol
LogP0.40
Rot. Bonds8

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

N-[(3R,4S)-4-(2-amino-2-oxoethoxy)oxan-3-yl]-3-(2-methoxyphenyl)propanamide (PubChem CID 91765241) has the molecular formula C17H24N2O5 and a molecular weight of 336.39 g/mol. Its IUPAC name is N-[(3R,4S)-4-(2-amino-2-oxoethoxy)oxan-3-yl]-3-(2-methoxyphenyl)propanamide.

Molecular Properties

Compound NameN-[(3R,4S)-4-(2-amino-2-oxoethoxy)oxan-3-yl]-3-(2-methoxyphenyl)propanamide
PubChem CID91765241
Molecular FormulaC17H24N2O5
Molecular Weight336.39 g/mol
Exact Mass336.17
IUPAC NameN-[(3R,4S)-4-(2-amino-2-oxoethoxy)oxan-3-yl]-3-(2-methoxyphenyl)propanamide
SMILESCOc1ccccc1CCC(=O)N[C@@H]1COCC[C@@H]1OCC(N)=O
InChIInChI=1S/C17H24N2O5/c1-22-14-5-3-2-4-12(14)6-7-17(21)19-13-10-23-9-8-15(13)24-11-16(18)20/h2-5,13,15H,6-11H2,1H3,(H2,18,20)(H,19,21)/t13-,15+/m1/s1
InChIKeyMLEVPEDJXNRRIQ-HIFRSBDPSA-N
XLogP0.40
TPSA99.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3R,4S)-4-(2-amino-2-oxoethoxy)oxan-3-yl]-2-(3,4-dimethylphenyl)acetamide
CID 91775491
N-[(1S,2S)-2-hydroxycyclohexyl]-3-(2-methoxyphenyl)propanamide
CID 104956713
N-[2-(aminomethyl)cyclohexyl]-3-(2-methoxyphenyl)propanamide;hydrochloride
CID 119609653
N-[(3R,4S)-4-(2-amino-2-oxoethoxy)oxan-3-yl]-2-(benzotriazol-2-yl)acetamide
CID 90653846
[(3R,4R)-4-hydroxyoxan-3-yl] 3-(2-methoxyphenyl)propanoate
CID 118584224
2-[(3S,4R)-3-[2-(2-fluorophenyl)ethylcarbamoylamino]oxan-4-yl]oxyacetamide
CID 133265962
2-[(3S,4R)-4-[3-(2-methylphenyl)propanoylamino]oxan-3-yl]oxyacetic acid
CID 91784519
N-[(3R,4S)-4-(2-amino-2-oxoethoxy)oxan-3-yl]-3-(6-fluoro-1H-benzimidazol-2-yl)propanamide
CID 91784528
3-(2-methoxyphenyl)-N-(2-methylpiperidin-3-yl)propanamide
CID 120573713
3-pyridin-2-yl-N-[(3R,4R)-4-(pyridin-2-ylmethoxy)oxan-3-yl]propanamide
CID 91783906
N-[(3R,4S)-4-(2-amino-2-oxoethoxy)oxan-3-yl]-4-fluorobenzamide
CID 91767703
2-[(3R,4S)-3-(4-phenoxybutanoylamino)oxan-4-yl]oxyacetic acid
CID 91788296

Frequently Asked Questions

What is the IUPAC name of N-[(3R,4S)-4-(2-amino-2-oxoethoxy)oxan-3-yl]-3-(2-methoxyphenyl)propanamide?
The IUPAC name of N-[(3R,4S)-4-(2-amino-2-oxoethoxy)oxan-3-yl]-3-(2-methoxyphenyl)propanamide (CID 91765241) is N-[(3R,4S)-4-(2-amino-2-oxoethoxy)oxan-3-yl]-3-(2-methoxyphenyl)propanamide.
What is the SMILES notation for N-[(3R,4S)-4-(2-amino-2-oxoethoxy)oxan-3-yl]-3-(2-methoxyphenyl)propanamide?
The canonical SMILES for N-[(3R,4S)-4-(2-amino-2-oxoethoxy)oxan-3-yl]-3-(2-methoxyphenyl)propanamide is COc1ccccc1CCC(=O)N[C@@H]1COCC[C@@H]1OCC(N)=O.
What is the InChIKey of N-[(3R,4S)-4-(2-amino-2-oxoethoxy)oxan-3-yl]-3-(2-methoxyphenyl)propanamide?
The InChIKey is MLEVPEDJXNRRIQ-HIFRSBDPSA-N. The full InChI is InChI=1S/C17H24N2O5/c1-22-14-5-3-2-4-12(14)6-7-17(21)19-13-10-23-9-8-15(13)24-11-16(18)20/h2-5,13,15H,6-11H2,1H3,(H2,18,20)(H,19,21)/t13-,15+/m1/s1.
What are the key properties of N-[(3R,4S)-4-(2-amino-2-oxoethoxy)oxan-3-yl]-3-(2-methoxyphenyl)propanamide?
N-[(3R,4S)-4-(2-amino-2-oxoethoxy)oxan-3-yl]-3-(2-methoxyphenyl)propanamide has a molecular weight of 336.39 g/mol, XLogP of 0.40, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4S)-4-(2-amino-2-oxoethoxy)oxan-3-yl]-3-(2-methoxyphenyl)propanamide is sourced from PubChem (CID 91765241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).