[2-(ethylcarbamoylamino)-2-oxoethyl] 3-chloro-4-ethoxy-5-methoxybenzoate

C15H19ClN2O6 — CID 7253748

IUPAC[2-(ethylcarbamoylamino)-2-oxoethyl] 3-chloro-4-ethoxy-5-methoxybenzoate
SMILESCCNC(=O)NC(=O)COC(=O)c1cc(Cl)c(OCC)c(OC)c1
InChIInChI=1S/C15H19ClN2O6/c1-4-17-15(21)18-12(19)8-24-14(20)9-6-10(16)13(23-5-2)11(7-9)22-3/h6-7H,4-5,8H2,1-3H3,(H2,17,18,19,21)
InChIKeyHCYBRSAEJNTBDU-UHFFFAOYSA-N
MW358.78 g/mol
LogP1.75
Rot. Bonds7

About [2-(ethylcarbamoylamino)-2-oxoethyl] 3-chloro-4-ethoxy-5-methoxybenzoate

[2-(ethylcarbamoylamino)-2-oxoethyl] 3-chloro-4-ethoxy-5-methoxybenzoate (PubChem CID 7253748) has the molecular formula C15H19ClN2O6 and a molecular weight of 358.78 g/mol. Its IUPAC name is [2-(ethylcarbamoylamino)-2-oxoethyl] 3-chloro-4-ethoxy-5-methoxybenzoate.

Molecular Properties

Compound Name[2-(ethylcarbamoylamino)-2-oxoethyl] 3-chloro-4-ethoxy-5-methoxybenzoate
PubChem CID7253748
Molecular FormulaC15H19ClN2O6
Molecular Weight358.78 g/mol
Exact Mass358.09
IUPAC Name[2-(ethylcarbamoylamino)-2-oxoethyl] 3-chloro-4-ethoxy-5-methoxybenzoate
SMILESCCNC(=O)NC(=O)COC(=O)c1cc(Cl)c(OCC)c(OC)c1
InChIInChI=1S/C15H19ClN2O6/c1-4-17-15(21)18-12(19)8-24-14(20)9-6-10(16)13(23-5-2)11(7-9)22-3/h6-7H,4-5,8H2,1-3H3,(H2,17,18,19,21)
InChIKeyHCYBRSAEJNTBDU-UHFFFAOYSA-N
XLogP1.75
TPSA102.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.78
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(ethylcarbamoylamino)-2-oxoethyl] 3-chloro-5-methoxy-4-(2-methylpropoxy)benzoate
CID 7810879
[2-(butylcarbamoylamino)-2-oxoethyl] 3-chloro-4,5-dimethoxybenzoate
CID 8952490
[2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 4-butoxy-3-chloro-5-methoxybenzoate
CID 7952401
[2-oxo-2-(pentan-3-ylamino)ethyl] 3-chloro-4-ethoxy-5-methoxybenzoate
CID 7253728
[2-(4-methoxyanilino)-2-oxoethyl] 3-chloro-4-ethoxy-5-methoxybenzoate
CID 7654496
[2-(4-ethoxyanilino)-2-oxoethyl] 3-chloro-4-ethoxy-5-methoxybenzoate
CID 7654549
[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
[2-(2-benzoylhydrazinyl)-2-oxoethyl] 3-chloro-4-ethoxy-5-methoxybenzoate
CID 7253702
[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 3-chloro-4,5-dimethoxybenzoate
CID 7362805
[2-(ethoxycarbonylamino)-2-oxoethyl] 3-chloro-5-methoxy-4-(2-methylpropoxy)benzoate
CID 7810876
3-chloro-4-ethoxy-N-ethyl-5-methoxybenzamide
CID 4019804

Frequently Asked Questions

What is the IUPAC name of [2-(ethylcarbamoylamino)-2-oxoethyl] 3-chloro-4-ethoxy-5-methoxybenzoate?
The IUPAC name of [2-(ethylcarbamoylamino)-2-oxoethyl] 3-chloro-4-ethoxy-5-methoxybenzoate (CID 7253748) is [2-(ethylcarbamoylamino)-2-oxoethyl] 3-chloro-4-ethoxy-5-methoxybenzoate.
What is the SMILES notation for [2-(ethylcarbamoylamino)-2-oxoethyl] 3-chloro-4-ethoxy-5-methoxybenzoate?
The canonical SMILES for [2-(ethylcarbamoylamino)-2-oxoethyl] 3-chloro-4-ethoxy-5-methoxybenzoate is CCNC(=O)NC(=O)COC(=O)c1cc(Cl)c(OCC)c(OC)c1.
What is the InChIKey of [2-(ethylcarbamoylamino)-2-oxoethyl] 3-chloro-4-ethoxy-5-methoxybenzoate?
The InChIKey is HCYBRSAEJNTBDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O6/c1-4-17-15(21)18-12(19)8-24-14(20)9-6-10(16)13(23-5-2)11(7-9)22-3/h6-7H,4-5,8H2,1-3H3,(H2,17,18,19,21).
What are the key properties of [2-(ethylcarbamoylamino)-2-oxoethyl] 3-chloro-4-ethoxy-5-methoxybenzoate?
[2-(ethylcarbamoylamino)-2-oxoethyl] 3-chloro-4-ethoxy-5-methoxybenzoate has a molecular weight of 358.78 g/mol, XLogP of 1.75, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(ethylcarbamoylamino)-2-oxoethyl] 3-chloro-4-ethoxy-5-methoxybenzoate is sourced from PubChem (CID 7253748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).