methyl 2-[(3R,4R)-4-(4-methoxyphenyl)-6,6-dimethyloxazinan-3-yl]acetate

C16H23NO4 — CID 101480219

IUPACmethyl 2-[(3R,4R)-4-(4-methoxyphenyl)-6,6-dimethyloxazinan-3-yl]acetate
SMILESCOC(=O)C[C@H]1NOC(C)(C)C[C@@H]1c1ccc(OC)cc1
InChIInChI=1S/C16H23NO4/c1-16(2)10-13(11-5-7-12(19-3)8-6-11)14(17-21-16)9-15(18)20-4/h5-8,13-14,17H,9-10H2,1-4H3/t13-,14-/m1/s1
InChIKeyFDXXJKIKERWPDM-ZIAGYGMSSA-N
MW293.36 g/mol
LogP2.41
Rot. Bonds4

About methyl 2-[(3R,4R)-4-(4-methoxyphenyl)-6,6-dimethyloxazinan-3-yl]acetate

methyl 2-[(3R,4R)-4-(4-methoxyphenyl)-6,6-dimethyloxazinan-3-yl]acetate (PubChem CID 101480219) has the molecular formula C16H23NO4 and a molecular weight of 293.36 g/mol. Its IUPAC name is methyl 2-[(3R,4R)-4-(4-methoxyphenyl)-6,6-dimethyloxazinan-3-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[(3R,4R)-4-(4-methoxyphenyl)-6,6-dimethyloxazinan-3-yl]acetate
PubChem CID101480219
Molecular FormulaC16H23NO4
Molecular Weight293.36 g/mol
Exact Mass293.16
IUPAC Namemethyl 2-[(3R,4R)-4-(4-methoxyphenyl)-6,6-dimethyloxazinan-3-yl]acetate
SMILESCOC(=O)C[C@H]1NOC(C)(C)C[C@@H]1c1ccc(OC)cc1
InChIInChI=1S/C16H23NO4/c1-16(2)10-13(11-5-7-12(19-3)8-6-11)14(17-21-16)9-15(18)20-4/h5-8,13-14,17H,9-10H2,1-4H3/t13-,14-/m1/s1
InChIKeyFDXXJKIKERWPDM-ZIAGYGMSSA-N
XLogP2.41
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 2-[(3R,4R)-4-(4-methoxyphenyl)-6,6-dimethyloxazinan-3-yl]acetate with MolForge

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Related Compounds

(8R)-8-(4-methoxyphenyl)-1-methyl-2,6-diazabicyclo[2.2.2]octane-3,5-dione
CID 7332817
(3R,4R)-4-(4-methoxyphenyl)-2-oxooxolane-3-carboxylic acid
CID 124842580
(3S,4R)-4-(4-methoxyphenyl)-2-oxopiperidine-3-carboxylic acid
CID 140888273
2-[(2,2-dimethyloxan-4-yl)methylamino]-1-(4-methoxyphenyl)ethanone
CID 13438549
3-(4-methoxyphenyl)-2,2-dimethylcyclopentan-1-one
CID 102450234
methyl (4R,5S)-5-(4-methoxyphenyl)-2,2-dimethyl-1,3-dioxolane-4-carboxylate
CID 10635449
methyl (4S)-5-(4-methoxyphenyl)-2,2-dimethyl-1,3-dioxolane-4-carboxylate
CID 59924048
4-methoxy-N-[3-(4-methoxyphenyl)cyclobutyl]-2-methylpyrrolidine-2-carboxamide
CID 166276737
N-(cyclopropylmethyl)-4-(4-methoxyphenyl)pyrrolidine-3-carboxamide
CID 42825230
2-[3-cyano-6-(4-methoxyphenyl)-3-methyl-2-oxocyclohexyl]acetic acid
CID 70198080
methyl 3-[2-(4-methoxyphenyl)-1,3-dioxolan-2-yl]propanoate
CID 69191493
(3R,4R)-4-(4-methoxyphenyl)pyrrolidine-3-carboxylic acid
CID 7145970

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(3R,4R)-4-(4-methoxyphenyl)-6,6-dimethyloxazinan-3-yl]acetate?
The IUPAC name of methyl 2-[(3R,4R)-4-(4-methoxyphenyl)-6,6-dimethyloxazinan-3-yl]acetate (CID 101480219) is methyl 2-[(3R,4R)-4-(4-methoxyphenyl)-6,6-dimethyloxazinan-3-yl]acetate.
What is the SMILES notation for methyl 2-[(3R,4R)-4-(4-methoxyphenyl)-6,6-dimethyloxazinan-3-yl]acetate?
The canonical SMILES for methyl 2-[(3R,4R)-4-(4-methoxyphenyl)-6,6-dimethyloxazinan-3-yl]acetate is COC(=O)C[C@H]1NOC(C)(C)C[C@@H]1c1ccc(OC)cc1.
What is the InChIKey of methyl 2-[(3R,4R)-4-(4-methoxyphenyl)-6,6-dimethyloxazinan-3-yl]acetate?
The InChIKey is FDXXJKIKERWPDM-ZIAGYGMSSA-N. The full InChI is InChI=1S/C16H23NO4/c1-16(2)10-13(11-5-7-12(19-3)8-6-11)14(17-21-16)9-15(18)20-4/h5-8,13-14,17H,9-10H2,1-4H3/t13-,14-/m1/s1.
What are the key properties of methyl 2-[(3R,4R)-4-(4-methoxyphenyl)-6,6-dimethyloxazinan-3-yl]acetate?
methyl 2-[(3R,4R)-4-(4-methoxyphenyl)-6,6-dimethyloxazinan-3-yl]acetate has a molecular weight of 293.36 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(3R,4R)-4-(4-methoxyphenyl)-6,6-dimethyloxazinan-3-yl]acetate is sourced from PubChem (CID 101480219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).