[2-(methylcarbamoylamino)-2-oxoethyl] 4-butoxy-3-chloro-5-ethoxybenzoate

C17H23ClN2O6 — CID 7684481

IUPAC[2-(methylcarbamoylamino)-2-oxoethyl] 4-butoxy-3-chloro-5-ethoxybenzoate
SMILESCCCCOc1c(Cl)cc(C(=O)OCC(=O)NC(=O)NC)cc1OCC
InChIInChI=1S/C17H23ClN2O6/c1-4-6-7-25-15-12(18)8-11(9-13(15)24-5-2)16(22)26-10-14(21)20-17(23)19-3/h8-9H,4-7,10H2,1-3H3,(H2,19,20,21,23)
InChIKeyGFOLPLWAAPIJIQ-UHFFFAOYSA-N
MW386.83 g/mol
LogP2.53
Rot. Bonds9

About [2-(methylcarbamoylamino)-2-oxoethyl] 4-butoxy-3-chloro-5-ethoxybenzoate

[2-(methylcarbamoylamino)-2-oxoethyl] 4-butoxy-3-chloro-5-ethoxybenzoate (PubChem CID 7684481) has the molecular formula C17H23ClN2O6 and a molecular weight of 386.83 g/mol. Its IUPAC name is [2-(methylcarbamoylamino)-2-oxoethyl] 4-butoxy-3-chloro-5-ethoxybenzoate.

Molecular Properties

Compound Name[2-(methylcarbamoylamino)-2-oxoethyl] 4-butoxy-3-chloro-5-ethoxybenzoate
PubChem CID7684481
Molecular FormulaC17H23ClN2O6
Molecular Weight386.83 g/mol
Exact Mass386.12
IUPAC Name[2-(methylcarbamoylamino)-2-oxoethyl] 4-butoxy-3-chloro-5-ethoxybenzoate
SMILESCCCCOc1c(Cl)cc(C(=O)OCC(=O)NC(=O)NC)cc1OCC
InChIInChI=1S/C17H23ClN2O6/c1-4-6-7-25-15-12(18)8-11(9-13(15)24-5-2)16(22)26-10-14(21)20-17(23)19-3/h8-9H,4-7,10H2,1-3H3,(H2,19,20,21,23)
InChIKeyGFOLPLWAAPIJIQ-UHFFFAOYSA-N
XLogP2.53
TPSA102.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.83
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze [2-(methylcarbamoylamino)-2-oxoethyl] 4-butoxy-3-chloro-5-ethoxybenzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(2S)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] 4-butoxy-3-chloro-5-ethoxybenzoate
CID 7684484
[2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 4-butoxy-3-chloro-5-methoxybenzoate
CID 7952401
[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 3-chloro-5-ethoxy-4-propoxybenzoate
CID 16514327
[2-(butylcarbamoylamino)-2-oxoethyl] 3-chloro-4,5-dimethoxybenzoate
CID 8952490
[2-(ethylcarbamoylamino)-2-oxoethyl] 3-chloro-4-ethoxy-5-methoxybenzoate
CID 7253748
[2-(methylcarbamoylamino)-2-oxoethyl] 3,4-diethoxybenzoate
CID 2561800
[2-(3-methylbutylcarbamoylamino)-2-oxoethyl] 3-chloro-5-methoxy-4-propoxybenzoate
CID 7684085
[(2S)-1-(methoxycarbonylamino)-1-oxopropan-2-yl] 4-butoxy-3-chloro-5-ethoxybenzoate
CID 8576938
[2-(4-chlorophenyl)-2-oxoethyl] 3-chloro-5-ethoxy-4-propoxybenzoate
CID 4025774
[2-(3-fluoroanilino)-2-oxoethyl] 3-chloro-5-ethoxy-4-propoxybenzoate
CID 7363359
[2-(2-cyanoanilino)-2-oxoethyl] 3-chloro-5-ethoxy-4-propoxybenzoate
CID 7363378
[(2R)-1-(ethylamino)-1-oxopropan-2-yl] 4-butoxy-3-chloro-5-ethoxybenzoate
CID 8603349

Frequently Asked Questions

What is the IUPAC name of [2-(methylcarbamoylamino)-2-oxoethyl] 4-butoxy-3-chloro-5-ethoxybenzoate?
The IUPAC name of [2-(methylcarbamoylamino)-2-oxoethyl] 4-butoxy-3-chloro-5-ethoxybenzoate (CID 7684481) is [2-(methylcarbamoylamino)-2-oxoethyl] 4-butoxy-3-chloro-5-ethoxybenzoate.
What is the SMILES notation for [2-(methylcarbamoylamino)-2-oxoethyl] 4-butoxy-3-chloro-5-ethoxybenzoate?
The canonical SMILES for [2-(methylcarbamoylamino)-2-oxoethyl] 4-butoxy-3-chloro-5-ethoxybenzoate is CCCCOc1c(Cl)cc(C(=O)OCC(=O)NC(=O)NC)cc1OCC.
What is the InChIKey of [2-(methylcarbamoylamino)-2-oxoethyl] 4-butoxy-3-chloro-5-ethoxybenzoate?
The InChIKey is GFOLPLWAAPIJIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23ClN2O6/c1-4-6-7-25-15-12(18)8-11(9-13(15)24-5-2)16(22)26-10-14(21)20-17(23)19-3/h8-9H,4-7,10H2,1-3H3,(H2,19,20,21,23).
What are the key properties of [2-(methylcarbamoylamino)-2-oxoethyl] 4-butoxy-3-chloro-5-ethoxybenzoate?
[2-(methylcarbamoylamino)-2-oxoethyl] 4-butoxy-3-chloro-5-ethoxybenzoate has a molecular weight of 386.83 g/mol, XLogP of 2.53, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(methylcarbamoylamino)-2-oxoethyl] 4-butoxy-3-chloro-5-ethoxybenzoate is sourced from PubChem (CID 7684481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).