[2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 5-chloro-2-methoxybenzoate

C15H19ClN2O5 — CID 2647912

IUPAC[2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 5-chloro-2-methoxybenzoate
SMILESCOc1ccc(Cl)cc1C(=O)OCC(=O)NC(=O)NCC(C)C
InChIInChI=1S/C15H19ClN2O5/c1-9(2)7-17-15(21)18-13(19)8-23-14(20)11-6-10(16)4-5-12(11)22-3/h4-6,9H,7-8H2,1-3H3,(H2,17,18,19,21)
InChIKeyFFBFIIBTONMLIQ-UHFFFAOYSA-N
MW342.78 g/mol
LogP1.99
Rot. Bonds6

About [2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 5-chloro-2-methoxybenzoate

[2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 5-chloro-2-methoxybenzoate (PubChem CID 2647912) has the molecular formula C15H19ClN2O5 and a molecular weight of 342.78 g/mol. Its IUPAC name is [2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 5-chloro-2-methoxybenzoate.

Molecular Properties

Compound Name[2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 5-chloro-2-methoxybenzoate
PubChem CID2647912
Molecular FormulaC15H19ClN2O5
Molecular Weight342.78 g/mol
Exact Mass342.10
IUPAC Name[2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 5-chloro-2-methoxybenzoate
SMILESCOc1ccc(Cl)cc1C(=O)OCC(=O)NC(=O)NCC(C)C
InChIInChI=1S/C15H19ClN2O5/c1-9(2)7-17-15(21)18-13(19)8-23-14(20)11-6-10(16)4-5-12(11)22-3/h4-6,9H,7-8H2,1-3H3,(H2,17,18,19,21)
InChIKeyFFBFIIBTONMLIQ-UHFFFAOYSA-N
XLogP1.99
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.78
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 5-chloro-2-methoxybenzoate with MolForge

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Related Compounds

[2-(3-methylbutylcarbamoylamino)-2-oxoethyl] 5-chloro-2-methoxybenzoate
CID 2614821
[2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 2-methoxybenzoate
CID 2647794
[2-(butylcarbamoylamino)-2-oxoethyl] 5-chloro-2-methoxybenzoate
CID 8738375
[2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 3-methoxynaphthalene-2-carboxylate
CID 2641341
[2-(cyclopropylcarbamoylamino)-2-oxoethyl] 5-chloro-2-methoxybenzoate
CID 7581872
[2-(3,5-dichloroanilino)-2-oxoethyl] 5-chloro-2-methoxybenzoate
CID 7235662
[2-[(2,4-dichlorophenyl)methylamino]-2-oxoethyl] 5-chloro-2-methoxybenzoate
CID 2614690
[2-[[(2S)-1-(ethylamino)-1-oxopropan-2-yl]amino]-2-oxoethyl] 5-chloro-2-methoxybenzoate
CID 8847713
[2-[(1-methoxy-3-methyl-1-oxopentan-2-yl)amino]-2-oxoethyl] 5-chloro-2-methoxybenzoate
CID 18201939
[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 5-chloro-2-methoxybenzoate
CID 2629966
[2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 2,3-dichlorobenzoate
CID 2487334
[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 5-chloro-2-methoxybenzoate
CID 2614932

Frequently Asked Questions

What is the IUPAC name of [2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 5-chloro-2-methoxybenzoate?
The IUPAC name of [2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 5-chloro-2-methoxybenzoate (CID 2647912) is [2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 5-chloro-2-methoxybenzoate.
What is the SMILES notation for [2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 5-chloro-2-methoxybenzoate?
The canonical SMILES for [2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 5-chloro-2-methoxybenzoate is COc1ccc(Cl)cc1C(=O)OCC(=O)NC(=O)NCC(C)C.
What is the InChIKey of [2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 5-chloro-2-methoxybenzoate?
The InChIKey is FFBFIIBTONMLIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O5/c1-9(2)7-17-15(21)18-13(19)8-23-14(20)11-6-10(16)4-5-12(11)22-3/h4-6,9H,7-8H2,1-3H3,(H2,17,18,19,21).
What are the key properties of [2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 5-chloro-2-methoxybenzoate?
[2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 5-chloro-2-methoxybenzoate has a molecular weight of 342.78 g/mol, XLogP of 1.99, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 5-chloro-2-methoxybenzoate is sourced from PubChem (CID 2647912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).