[2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 3-ethoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzoate

C25H29N3O8 — CID 4856725

IUPAC[2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 3-ethoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzoate
SMILESCCOc1cc(C(=O)OC(C(=O)NC(=O)NC)c2ccccc2)ccc1OCC(=O)N1CCOCC1
InChIInChI=1S/C25H29N3O8/c1-3-34-20-15-18(9-10-19(20)35-16-21(29)28-11-13-33-14-12-28)24(31)36-22(17-7-5-4-6-8-17)23(30)27-25(32)26-2/h4-10,15,22H,3,11-14,16H2,1-2H3,(H2,26,27,30,32)
InChIKeyVODVRICNIHVYBJ-UHFFFAOYSA-N
MW499.52 g/mol
LogP1.68
Rot. Bonds9

About [2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 3-ethoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzoate

[2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 3-ethoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzoate (PubChem CID 4856725) has the molecular formula C25H29N3O8 and a molecular weight of 499.52 g/mol. Its IUPAC name is [2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 3-ethoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzoate.

Molecular Properties

Compound Name[2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 3-ethoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzoate
PubChem CID4856725
Molecular FormulaC25H29N3O8
Molecular Weight499.52 g/mol
Exact Mass499.20
IUPAC Name[2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 3-ethoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzoate
SMILESCCOc1cc(C(=O)OC(C(=O)NC(=O)NC)c2ccccc2)ccc1OCC(=O)N1CCOCC1
InChIInChI=1S/C25H29N3O8/c1-3-34-20-15-18(9-10-19(20)35-16-21(29)28-11-13-33-14-12-28)24(31)36-22(17-7-5-4-6-8-17)23(30)27-25(32)26-2/h4-10,15,22H,3,11-14,16H2,1-2H3,(H2,26,27,30,32)
InChIKeyVODVRICNIHVYBJ-UHFFFAOYSA-N
XLogP1.68
TPSA132.50 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.52
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

3-ethoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzoic acid
CID 5169130
phenacyl 3-ethoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzoate
CID 18281736
[2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 4-ethoxy-3-nitrobenzoate
CID 46809191
[1-oxo-1-(1-phenylethylamino)propan-2-yl] 3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)benzoate
CID 42975908
cyanomethyl 3-ethoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzoate
CID 7969980
[(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] naphthalene-2-carboxylate
CID 2674820
[(1S)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 3-(ethoxymethyl)-4-methoxybenzoate
CID 8619236
[(2R)-1-oxo-1-(4-sulfamoylanilino)propan-2-yl] 3-ethoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzoate
CID 93472955
2-[4-(2,3-dihydroindole-1-carbonyl)-2-ethoxyphenoxy]-1-morpholin-4-ylethanone
CID 8012463
N-cyclopropyl-3-ethoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzamide
CID 9165476
[(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 3-fluoro-4-methoxybenzoate
CID 7523142
(2,3-dimethoxyphenyl)methyl 3-ethoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzoate
CID 24980785

Frequently Asked Questions

What is the IUPAC name of [2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 3-ethoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzoate?
The IUPAC name of [2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 3-ethoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzoate (CID 4856725) is [2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 3-ethoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzoate.
What is the SMILES notation for [2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 3-ethoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzoate?
The canonical SMILES for [2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 3-ethoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzoate is CCOc1cc(C(=O)OC(C(=O)NC(=O)NC)c2ccccc2)ccc1OCC(=O)N1CCOCC1.
What is the InChIKey of [2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 3-ethoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzoate?
The InChIKey is VODVRICNIHVYBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O8/c1-3-34-20-15-18(9-10-19(20)35-16-21(29)28-11-13-33-14-12-28)24(31)36-22(17-7-5-4-6-8-17)23(30)27-25(32)26-2/h4-10,15,22H,3,11-14,16H2,1-2H3,(H2,26,27,30,32).
What are the key properties of [2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 3-ethoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzoate?
[2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 3-ethoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzoate has a molecular weight of 499.52 g/mol, XLogP of 1.68, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 3-ethoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzoate is sourced from PubChem (CID 4856725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).