[2-(ethoxycarbonylamino)-2-oxoethyl] 3-chloro-5-methoxy-4-(2-methylpropoxy)benzoate

C17H22ClNO7 — CID 7810876

IUPAC[2-(ethoxycarbonylamino)-2-oxoethyl] 3-chloro-5-methoxy-4-(2-methylpropoxy)benzoate
SMILESCCOC(=O)NC(=O)COC(=O)c1cc(Cl)c(OCC(C)C)c(OC)c1
InChIInChI=1S/C17H22ClNO7/c1-5-24-17(22)19-14(20)9-26-16(21)11-6-12(18)15(13(7-11)23-4)25-8-10(2)3/h6-7,10H,5,8-9H2,1-4H3,(H,19,20,22)
InChIKeyMDEIXGIXMDRFCU-UHFFFAOYSA-N
MW387.82 g/mol
LogP2.81
Rot. Bonds8

About [2-(ethoxycarbonylamino)-2-oxoethyl] 3-chloro-5-methoxy-4-(2-methylpropoxy)benzoate

[2-(ethoxycarbonylamino)-2-oxoethyl] 3-chloro-5-methoxy-4-(2-methylpropoxy)benzoate (PubChem CID 7810876) has the molecular formula C17H22ClNO7 and a molecular weight of 387.82 g/mol. Its IUPAC name is [2-(ethoxycarbonylamino)-2-oxoethyl] 3-chloro-5-methoxy-4-(2-methylpropoxy)benzoate.

Molecular Properties

Compound Name[2-(ethoxycarbonylamino)-2-oxoethyl] 3-chloro-5-methoxy-4-(2-methylpropoxy)benzoate
PubChem CID7810876
Molecular FormulaC17H22ClNO7
Molecular Weight387.82 g/mol
Exact Mass387.11
IUPAC Name[2-(ethoxycarbonylamino)-2-oxoethyl] 3-chloro-5-methoxy-4-(2-methylpropoxy)benzoate
SMILESCCOC(=O)NC(=O)COC(=O)c1cc(Cl)c(OCC(C)C)c(OC)c1
InChIInChI=1S/C17H22ClNO7/c1-5-24-17(22)19-14(20)9-26-16(21)11-6-12(18)15(13(7-11)23-4)25-8-10(2)3/h6-7,10H,5,8-9H2,1-4H3,(H,19,20,22)
InChIKeyMDEIXGIXMDRFCU-UHFFFAOYSA-N
XLogP2.81
TPSA100.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.82
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [2-(ethoxycarbonylamino)-2-oxoethyl] 3-chloro-5-methoxy-4-(2-methylpropoxy)benzoate with MolForge

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Related Compounds

[2-(ethylcarbamoylamino)-2-oxoethyl] 3-chloro-5-methoxy-4-(2-methylpropoxy)benzoate
CID 7810879
[2-(2-methylbutan-2-ylamino)-2-oxoethyl] 3-chloro-5-methoxy-4-(2-methylpropoxy)benzoate
CID 42373924
[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 3-chloro-5-methoxy-4-(2-methylpropoxy)benzoate
CID 7810848
[2-[2-(3,4-dimethoxybenzoyl)hydrazinyl]-2-oxoethyl] 3-chloro-5-methoxy-4-(2-methylpropoxy)benzoate
CID 41278695
[2-(2,4-dimethoxyanilino)-2-oxoethyl] 3-chloro-5-methoxy-4-(2-methylpropoxy)benzoate
CID 41278675
[2-(ethylcarbamoylamino)-2-oxoethyl] 3-chloro-4-ethoxy-5-methoxybenzoate
CID 7253748
[2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 4-butoxy-3-chloro-5-methoxybenzoate
CID 7952401
[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 3-chloro-4,5-dimethoxybenzoate
CID 7362805
[2-oxo-2-(pentan-3-ylamino)ethyl] 3-chloro-4-ethoxy-5-methoxybenzoate
CID 7253728
methyl 3-chloro-5-ethoxy-4-(2-methylpropoxy)benzoate
CID 83952664
[2-(3-methylbutylcarbamoylamino)-2-oxoethyl] 3-chloro-5-methoxy-4-propoxybenzoate
CID 7684085
[2-(3-methylbutylcarbamoylamino)-2-oxoethyl] 3-chloro-4,5-dimethoxybenzoate
CID 16513424

Frequently Asked Questions

What is the IUPAC name of [2-(ethoxycarbonylamino)-2-oxoethyl] 3-chloro-5-methoxy-4-(2-methylpropoxy)benzoate?
The IUPAC name of [2-(ethoxycarbonylamino)-2-oxoethyl] 3-chloro-5-methoxy-4-(2-methylpropoxy)benzoate (CID 7810876) is [2-(ethoxycarbonylamino)-2-oxoethyl] 3-chloro-5-methoxy-4-(2-methylpropoxy)benzoate.
What is the SMILES notation for [2-(ethoxycarbonylamino)-2-oxoethyl] 3-chloro-5-methoxy-4-(2-methylpropoxy)benzoate?
The canonical SMILES for [2-(ethoxycarbonylamino)-2-oxoethyl] 3-chloro-5-methoxy-4-(2-methylpropoxy)benzoate is CCOC(=O)NC(=O)COC(=O)c1cc(Cl)c(OCC(C)C)c(OC)c1.
What is the InChIKey of [2-(ethoxycarbonylamino)-2-oxoethyl] 3-chloro-5-methoxy-4-(2-methylpropoxy)benzoate?
The InChIKey is MDEIXGIXMDRFCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClNO7/c1-5-24-17(22)19-14(20)9-26-16(21)11-6-12(18)15(13(7-11)23-4)25-8-10(2)3/h6-7,10H,5,8-9H2,1-4H3,(H,19,20,22).
What are the key properties of [2-(ethoxycarbonylamino)-2-oxoethyl] 3-chloro-5-methoxy-4-(2-methylpropoxy)benzoate?
[2-(ethoxycarbonylamino)-2-oxoethyl] 3-chloro-5-methoxy-4-(2-methylpropoxy)benzoate has a molecular weight of 387.82 g/mol, XLogP of 2.81, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(ethoxycarbonylamino)-2-oxoethyl] 3-chloro-5-methoxy-4-(2-methylpropoxy)benzoate is sourced from PubChem (CID 7810876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).