[2-(2-methylmorpholin-4-yl)-2-oxoethyl] 2-(3,4-dipropoxybenzoyl)benzoate

C27H33NO7 — CID 55479701

IUPAC[2-(2-methylmorpholin-4-yl)-2-oxoethyl] 2-(3,4-dipropoxybenzoyl)benzoate
SMILESCCCOc1ccc(C(=O)c2ccccc2C(=O)OCC(=O)N2CCOC(C)C2)cc1OCCC
InChIInChI=1S/C27H33NO7/c1-4-13-33-23-11-10-20(16-24(23)34-14-5-2)26(30)21-8-6-7-9-22(21)27(31)35-18-25(29)28-12-15-32-19(3)17-28/h6-11,16,19H,4-5,12-15,17-18H2,1-3H3
InChIKeyCOZOGBVSAMYSFP-UHFFFAOYSA-N
MW483.56 g/mol
LogP3.90
Rot. Bonds11

About [2-(2-methylmorpholin-4-yl)-2-oxoethyl] 2-(3,4-dipropoxybenzoyl)benzoate

[2-(2-methylmorpholin-4-yl)-2-oxoethyl] 2-(3,4-dipropoxybenzoyl)benzoate (PubChem CID 55479701) has the molecular formula C27H33NO7 and a molecular weight of 483.56 g/mol. Its IUPAC name is [2-(2-methylmorpholin-4-yl)-2-oxoethyl] 2-(3,4-dipropoxybenzoyl)benzoate.

Molecular Properties

Compound Name[2-(2-methylmorpholin-4-yl)-2-oxoethyl] 2-(3,4-dipropoxybenzoyl)benzoate
PubChem CID55479701
Molecular FormulaC27H33NO7
Molecular Weight483.56 g/mol
Exact Mass483.23
IUPAC Name[2-(2-methylmorpholin-4-yl)-2-oxoethyl] 2-(3,4-dipropoxybenzoyl)benzoate
SMILESCCCOc1ccc(C(=O)c2ccccc2C(=O)OCC(=O)N2CCOC(C)C2)cc1OCCC
InChIInChI=1S/C27H33NO7/c1-4-13-33-23-11-10-20(16-24(23)34-14-5-2)26(30)21-8-6-7-9-22(21)27(31)35-18-25(29)28-12-15-32-19(3)17-28/h6-11,16,19H,4-5,12-15,17-18H2,1-3H3
InChIKeyCOZOGBVSAMYSFP-UHFFFAOYSA-N
XLogP3.90
TPSA91.37 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.56
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [2-(2-methylmorpholin-4-yl)-2-oxoethyl] 2-(3,4-dipropoxybenzoyl)benzoate with MolForge

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Related Compounds

(3-amino-3-oxopropyl) 2-(3,4-dipropoxybenzoyl)benzoate
CID 22830000
[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 2-benzoylbenzoate
CID 7470890
[2-(2-methylmorpholin-4-yl)-2-oxoethyl] 2-[3-(trifluoromethyl)anilino]benzoate
CID 18204731
[2-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl] 2-benzoylbenzoate
CID 7470676
[2-oxo-2-(3-sulfamoylanilino)ethyl] 2-(3,4-dipropoxybenzoyl)benzoate
CID 4967147
2-methyl-3-[2-(2-methylmorpholin-4-yl)-2-oxoethoxy]benzoic acid
CID 82808741
[2-oxo-2-(pentan-2-ylamino)ethyl] 2-(3,4-diethoxybenzoyl)benzoate
CID 16544390
[2-(2-methylmorpholin-4-yl)-2-oxoethyl] 2-chloroquinoline-6-carboxylate
CID 55998394
[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl] 3-ethoxy-4-propoxybenzoate
CID 29316129
methyl 5-methoxy-2-[2-(2-methylmorpholin-4-yl)-2-oxoethoxy]benzoate
CID 47069672
[2-(methylamino)-2-oxoethyl] 3,4-dipropoxybenzoate
CID 8537066
[2-(2-methylmorpholin-4-yl)-2-oxoethyl] 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxylate
CID 46675600

Frequently Asked Questions

What is the IUPAC name of [2-(2-methylmorpholin-4-yl)-2-oxoethyl] 2-(3,4-dipropoxybenzoyl)benzoate?
The IUPAC name of [2-(2-methylmorpholin-4-yl)-2-oxoethyl] 2-(3,4-dipropoxybenzoyl)benzoate (CID 55479701) is [2-(2-methylmorpholin-4-yl)-2-oxoethyl] 2-(3,4-dipropoxybenzoyl)benzoate.
What is the SMILES notation for [2-(2-methylmorpholin-4-yl)-2-oxoethyl] 2-(3,4-dipropoxybenzoyl)benzoate?
The canonical SMILES for [2-(2-methylmorpholin-4-yl)-2-oxoethyl] 2-(3,4-dipropoxybenzoyl)benzoate is CCCOc1ccc(C(=O)c2ccccc2C(=O)OCC(=O)N2CCOC(C)C2)cc1OCCC.
What is the InChIKey of [2-(2-methylmorpholin-4-yl)-2-oxoethyl] 2-(3,4-dipropoxybenzoyl)benzoate?
The InChIKey is COZOGBVSAMYSFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33NO7/c1-4-13-33-23-11-10-20(16-24(23)34-14-5-2)26(30)21-8-6-7-9-22(21)27(31)35-18-25(29)28-12-15-32-19(3)17-28/h6-11,16,19H,4-5,12-15,17-18H2,1-3H3.
What are the key properties of [2-(2-methylmorpholin-4-yl)-2-oxoethyl] 2-(3,4-dipropoxybenzoyl)benzoate?
[2-(2-methylmorpholin-4-yl)-2-oxoethyl] 2-(3,4-dipropoxybenzoyl)benzoate has a molecular weight of 483.56 g/mol, XLogP of 3.90, 11 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methylmorpholin-4-yl)-2-oxoethyl] 2-(3,4-dipropoxybenzoyl)benzoate is sourced from PubChem (CID 55479701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).