methyl 3-[[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]acetyl]amino]-4-methylbenzoate

C17H24N2O4 — CID 8898920

IUPACmethyl 3-[[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]acetyl]amino]-4-methylbenzoate
SMILESCOC(=O)c1ccc(C)c(NC(=O)CN2C[C@@H](C)O[C@@H](C)C2)c1
InChIInChI=1S/C17H24N2O4/c1-11-5-6-14(17(21)22-4)7-15(11)18-16(20)10-19-8-12(2)23-13(3)9-19/h5-7,12-13H,8-10H2,1-4H3,(H,18,20)/t12-,13+
InChIKeyHTXHZADDJLZRGJ-BETUJISGSA-N
MW320.39 g/mol
LogP1.83
Rot. Bonds4

About methyl 3-[[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]acetyl]amino]-4-methylbenzoate

methyl 3-[[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]acetyl]amino]-4-methylbenzoate (PubChem CID 8898920) has the molecular formula C17H24N2O4 and a molecular weight of 320.39 g/mol. Its IUPAC name is methyl 3-[[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]acetyl]amino]-4-methylbenzoate.

Molecular Properties

Compound Namemethyl 3-[[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]acetyl]amino]-4-methylbenzoate
PubChem CID8898920
Molecular FormulaC17H24N2O4
Molecular Weight320.39 g/mol
Exact Mass320.17
IUPAC Namemethyl 3-[[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]acetyl]amino]-4-methylbenzoate
SMILESCOC(=O)c1ccc(C)c(NC(=O)CN2C[C@@H](C)O[C@@H](C)C2)c1
InChIInChI=1S/C17H24N2O4/c1-11-5-6-14(17(21)22-4)7-15(11)18-16(20)10-19-8-12(2)23-13(3)9-19/h5-7,12-13H,8-10H2,1-4H3,(H,18,20)/t12-,13+
InChIKeyHTXHZADDJLZRGJ-BETUJISGSA-N
XLogP1.83
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 3-[[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]acetyl]amino]-4-methylbenzoate with MolForge

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Related Compounds

dimethyl 5-[[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]acetyl]amino]benzene-1,3-dicarboxylate
CID 8898990
2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-N-(4-iodo-2-methylphenyl)acetamide
CID 8899909
2-(2,6-dimethylmorpholin-4-yl)-N-(3,4-dimethylphenyl)acetamide
CID 6465799
methyl 3-[[2-[4-[2-(4-chloroanilino)-2-oxoethyl]piperazin-1-yl]acetyl]amino]-4-methylbenzoate
CID 166356105
methyl 3-[[2-[(3aR,7aS)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]acetyl]amino]-4-methylbenzoate
CID 7920523
N-(2,5-dimethoxyphenyl)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]acetamide
CID 2653031
methyl 3-[[2-[3-[(butanoylamino)methyl]piperidin-1-yl]acetyl]amino]-4-methylbenzoate
CID 51133517
3-(2,6-dimethylmorpholin-4-yl)-N-(2,5-dimethylphenyl)propanamide
CID 3236824
N-(3-bromo-4-methylphenyl)-2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]acetamide
CID 8899342
2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-N-(2,4,6-trimethylphenyl)acetamide
CID 2653141
N-(5-chloro-2-methoxyphenyl)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]acetamide
CID 2088175
methyl 4-methyl-3-[[2-(4-methylpiperidin-1-ium-1-yl)acetyl]amino]benzoate
CID 8543283

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]acetyl]amino]-4-methylbenzoate?
The IUPAC name of methyl 3-[[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]acetyl]amino]-4-methylbenzoate (CID 8898920) is methyl 3-[[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]acetyl]amino]-4-methylbenzoate.
What is the SMILES notation for methyl 3-[[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]acetyl]amino]-4-methylbenzoate?
The canonical SMILES for methyl 3-[[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]acetyl]amino]-4-methylbenzoate is COC(=O)c1ccc(C)c(NC(=O)CN2C[C@@H](C)O[C@@H](C)C2)c1.
What is the InChIKey of methyl 3-[[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]acetyl]amino]-4-methylbenzoate?
The InChIKey is HTXHZADDJLZRGJ-BETUJISGSA-N. The full InChI is InChI=1S/C17H24N2O4/c1-11-5-6-14(17(21)22-4)7-15(11)18-16(20)10-19-8-12(2)23-13(3)9-19/h5-7,12-13H,8-10H2,1-4H3,(H,18,20)/t12-,13+.
What are the key properties of methyl 3-[[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]acetyl]amino]-4-methylbenzoate?
methyl 3-[[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]acetyl]amino]-4-methylbenzoate has a molecular weight of 320.39 g/mol, XLogP of 1.83, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]acetyl]amino]-4-methylbenzoate is sourced from PubChem (CID 8898920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).