2-methylpropyl 4-[[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]acetyl]amino]benzoate

C19H28N2O4 — CID 92858710

IUPAC2-methylpropyl 4-[[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]acetyl]amino]benzoate
SMILESCC(C)COC(=O)c1ccc(NC(=O)CN2C[C@@H](C)O[C@H](C)C2)cc1
InChIInChI=1S/C19H28N2O4/c1-13(2)12-24-19(23)16-5-7-17(8-6-16)20-18(22)11-21-9-14(3)25-15(4)10-21/h5-8,13-15H,9-12H2,1-4H3,(H,20,22)/t14-,15-/m1/s1
InChIKeyGFHJJKNLORSMAF-HUUCEWRRSA-N
MW348.44 g/mol
LogP2.55
Rot. Bonds6

About 2-methylpropyl 4-[[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]acetyl]amino]benzoate

2-methylpropyl 4-[[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]acetyl]amino]benzoate (PubChem CID 92858710) has the molecular formula C19H28N2O4 and a molecular weight of 348.44 g/mol. Its IUPAC name is 2-methylpropyl 4-[[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]acetyl]amino]benzoate.

Molecular Properties

Compound Name2-methylpropyl 4-[[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]acetyl]amino]benzoate
PubChem CID92858710
Molecular FormulaC19H28N2O4
Molecular Weight348.44 g/mol
Exact Mass348.20
IUPAC Name2-methylpropyl 4-[[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]acetyl]amino]benzoate
SMILESCC(C)COC(=O)c1ccc(NC(=O)CN2C[C@@H](C)O[C@H](C)C2)cc1
InChIInChI=1S/C19H28N2O4/c1-13(2)12-24-19(23)16-5-7-17(8-6-16)20-18(22)11-21-9-14(3)25-15(4)10-21/h5-8,13-15H,9-12H2,1-4H3,(H,20,22)/t14-,15-/m1/s1
InChIKeyGFHJJKNLORSMAF-HUUCEWRRSA-N
XLogP2.55
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.44
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-methylpropyl 4-[[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]acetyl]amino]benzoate with MolForge

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Related Compounds

2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-N-(4-ethylphenyl)acetamide
CID 8899824
4-[[2-(2,6-dimethylmorpholin-4-yl)acetyl]amino]-N,N-dimethylbenzamide
CID 51170483
2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-N-(4-methoxyphenyl)acetamide
CID 2378377
2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-N-(4-fluorophenyl)acetamide
CID 703778
N-[4-[(2S)-butan-2-yl]phenyl]-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]acetamide
CID 2653101
4-[[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]acetyl]amino]-N-(4-ethoxyphenyl)benzamide
CID 8900210
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-(4-ethoxyphenoxy)phenyl]acetamide
CID 8899247
2-(2,6-dimethylmorpholin-4-yl)-N-(3,4-dimethylphenyl)acetamide
CID 6465799
2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-(4-morpholin-4-ylphenyl)acetamide
CID 2125723
N-(3-amino-4-fluorophenyl)-2-(2,6-dimethylmorpholin-4-yl)acetamide
CID 16779490
2-(2,6-dimethylmorpholin-4-yl)-1-[4-(2-methylpropoxy)phenyl]ethanone
CID 82050428

Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl 4-[[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]acetyl]amino]benzoate?
The IUPAC name of 2-methylpropyl 4-[[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]acetyl]amino]benzoate (CID 92858710) is 2-methylpropyl 4-[[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]acetyl]amino]benzoate.
What is the SMILES notation for 2-methylpropyl 4-[[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]acetyl]amino]benzoate?
The canonical SMILES for 2-methylpropyl 4-[[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]acetyl]amino]benzoate is CC(C)COC(=O)c1ccc(NC(=O)CN2C[C@@H](C)O[C@H](C)C2)cc1.
What is the InChIKey of 2-methylpropyl 4-[[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]acetyl]amino]benzoate?
The InChIKey is GFHJJKNLORSMAF-HUUCEWRRSA-N. The full InChI is InChI=1S/C19H28N2O4/c1-13(2)12-24-19(23)16-5-7-17(8-6-16)20-18(22)11-21-9-14(3)25-15(4)10-21/h5-8,13-15H,9-12H2,1-4H3,(H,20,22)/t14-,15-/m1/s1.
What are the key properties of 2-methylpropyl 4-[[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]acetyl]amino]benzoate?
2-methylpropyl 4-[[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]acetyl]amino]benzoate has a molecular weight of 348.44 g/mol, XLogP of 2.55, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl 4-[[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]acetyl]amino]benzoate is sourced from PubChem (CID 92858710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).