[2-(ethoxycarbonylamino)-2-oxoethyl] 2-[(3,4-dimethylbenzoyl)amino]acetate

C16H20N2O6 — CID 7885139

IUPAC[2-(ethoxycarbonylamino)-2-oxoethyl] 2-[(3,4-dimethylbenzoyl)amino]acetate
SMILESCCOC(=O)NC(=O)COC(=O)CNC(=O)c1ccc(C)c(C)c1
InChIInChI=1S/C16H20N2O6/c1-4-23-16(22)18-13(19)9-24-14(20)8-17-15(21)12-6-5-10(2)11(3)7-12/h5-7H,4,8-9H2,1-3H3,(H,17,21)(H,18,19,22)
InChIKeyPHBXRGFOPGFKJW-UHFFFAOYSA-N
MW336.34 g/mol
LogP0.85
Rot. Bonds6

About [2-(ethoxycarbonylamino)-2-oxoethyl] 2-[(3,4-dimethylbenzoyl)amino]acetate

[2-(ethoxycarbonylamino)-2-oxoethyl] 2-[(3,4-dimethylbenzoyl)amino]acetate (PubChem CID 7885139) has the molecular formula C16H20N2O6 and a molecular weight of 336.34 g/mol. Its IUPAC name is [2-(ethoxycarbonylamino)-2-oxoethyl] 2-[(3,4-dimethylbenzoyl)amino]acetate.

Molecular Properties

Compound Name[2-(ethoxycarbonylamino)-2-oxoethyl] 2-[(3,4-dimethylbenzoyl)amino]acetate
PubChem CID7885139
Molecular FormulaC16H20N2O6
Molecular Weight336.34 g/mol
Exact Mass336.13
IUPAC Name[2-(ethoxycarbonylamino)-2-oxoethyl] 2-[(3,4-dimethylbenzoyl)amino]acetate
SMILESCCOC(=O)NC(=O)COC(=O)CNC(=O)c1ccc(C)c(C)c1
InChIInChI=1S/C16H20N2O6/c1-4-23-16(22)18-13(19)9-24-14(20)8-17-15(21)12-6-5-10(2)11(3)7-12/h5-7H,4,8-9H2,1-3H3,(H,17,21)(H,18,19,22)
InChIKeyPHBXRGFOPGFKJW-UHFFFAOYSA-N
XLogP0.85
TPSA110.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.34
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(ethoxycarbonylamino)-2-oxoethyl] 2-(naphthalene-2-carbonylamino)acetate
CID 7881303
[2-(ethoxycarbonylamino)-2-oxoethyl] 2-[(4-fluorobenzoyl)amino]acetate
CID 7877735
[2-(tert-butylcarbamoylamino)-2-oxoethyl] 2-[(3,4-dimethylbenzoyl)amino]acetate
CID 7885017
[2-oxo-2-(pentylamino)ethyl] 2-[(3,4-dimethylbenzoyl)amino]acetate
CID 8574802
[2-(4-methylanilino)-2-oxoethyl] 2-[(3,4-dimethylbenzoyl)amino]acetate
CID 7885307
[2-(4-iodoanilino)-2-oxoethyl] 2-[(3,4-dimethylbenzoyl)amino]acetate
CID 2477229
[2-(4-hydroxyanilino)-2-oxoethyl] 2-[(3,4-dimethylbenzoyl)amino]acetate
CID 27921499
[2-(4-ethoxyphenyl)-2-oxoethyl] 2-[(3,4-dimethylbenzoyl)amino]acetate
CID 7885033
ethyl 2-[[2-[2-[(3,4-dimethylbenzoyl)amino]acetyl]oxyacetyl]amino]benzoate
CID 7885385
[2-(2-methoxyanilino)-2-oxoethyl] 2-[(3,4-dimethylbenzoyl)amino]acetate
CID 7885360
2-(4-ethoxyphenoxy)ethyl 2-[(3,4-dimethylbenzoyl)amino]acetate
CID 7885053
[2-[2-[(2R)-butan-2-yl]anilino]-2-oxoethyl] 2-[(3,4-dimethylbenzoyl)amino]acetate
CID 2478518

Frequently Asked Questions

What is the IUPAC name of [2-(ethoxycarbonylamino)-2-oxoethyl] 2-[(3,4-dimethylbenzoyl)amino]acetate?
The IUPAC name of [2-(ethoxycarbonylamino)-2-oxoethyl] 2-[(3,4-dimethylbenzoyl)amino]acetate (CID 7885139) is [2-(ethoxycarbonylamino)-2-oxoethyl] 2-[(3,4-dimethylbenzoyl)amino]acetate.
What is the SMILES notation for [2-(ethoxycarbonylamino)-2-oxoethyl] 2-[(3,4-dimethylbenzoyl)amino]acetate?
The canonical SMILES for [2-(ethoxycarbonylamino)-2-oxoethyl] 2-[(3,4-dimethylbenzoyl)amino]acetate is CCOC(=O)NC(=O)COC(=O)CNC(=O)c1ccc(C)c(C)c1.
What is the InChIKey of [2-(ethoxycarbonylamino)-2-oxoethyl] 2-[(3,4-dimethylbenzoyl)amino]acetate?
The InChIKey is PHBXRGFOPGFKJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O6/c1-4-23-16(22)18-13(19)9-24-14(20)8-17-15(21)12-6-5-10(2)11(3)7-12/h5-7H,4,8-9H2,1-3H3,(H,17,21)(H,18,19,22).
What are the key properties of [2-(ethoxycarbonylamino)-2-oxoethyl] 2-[(3,4-dimethylbenzoyl)amino]acetate?
[2-(ethoxycarbonylamino)-2-oxoethyl] 2-[(3,4-dimethylbenzoyl)amino]acetate has a molecular weight of 336.34 g/mol, XLogP of 0.85, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(ethoxycarbonylamino)-2-oxoethyl] 2-[(3,4-dimethylbenzoyl)amino]acetate is sourced from PubChem (CID 7885139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).