methyl 2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]amino]-2-methylbutanoate

C15H21ClN2O4 — CID 56792966

IUPACmethyl 2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]amino]-2-methylbutanoate
SMILESCCC(C)(NCC(=O)Nc1cc(Cl)ccc1OC)C(=O)OC
InChIInChI=1S/C15H21ClN2O4/c1-5-15(2,14(20)22-4)17-9-13(19)18-11-8-10(16)6-7-12(11)21-3/h6-8,17H,5,9H2,1-4H3,(H,18,19)
InChIKeyJANALAKLUHIECD-UHFFFAOYSA-N
MW328.80 g/mol
LogP2.22
Rot. Bonds7

About methyl 2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]amino]-2-methylbutanoate

methyl 2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]amino]-2-methylbutanoate (PubChem CID 56792966) has the molecular formula C15H21ClN2O4 and a molecular weight of 328.80 g/mol. Its IUPAC name is methyl 2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]amino]-2-methylbutanoate.

Molecular Properties

Compound Namemethyl 2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]amino]-2-methylbutanoate
PubChem CID56792966
Molecular FormulaC15H21ClN2O4
Molecular Weight328.80 g/mol
Exact Mass328.12
IUPAC Namemethyl 2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]amino]-2-methylbutanoate
SMILESCCC(C)(NCC(=O)Nc1cc(Cl)ccc1OC)C(=O)OC
InChIInChI=1S/C15H21ClN2O4/c1-5-15(2,14(20)22-4)17-9-13(19)18-11-8-10(16)6-7-12(11)21-3/h6-8,17H,5,9H2,1-4H3,(H,18,19)
InChIKeyJANALAKLUHIECD-UHFFFAOYSA-N
XLogP2.22
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.80
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]amino]-2-methyl-3-phenoxypropanoate
CID 56542104
N-(5-chloro-2-methoxyphenyl)-3-methoxy-3-methylbutanamide
CID 129040736
N-(5-chloro-2-methoxyphenyl)-2-(4,5-dimethoxy-2-methylanilino)acetamide
CID 9105369
3-(tert-butylamino)-N-(5-chloro-2-methoxyphenyl)propanamide
CID 54928228
2-chloro-N-(5-chloro-2-methoxyphenyl)acetamide
CID 776663
5-(5-chloro-2-methoxyanilino)-3-ethyl-3-methyl-5-oxopentanoic acid
CID 129040731
N-(4-chloro-2,5-dimethoxyphenyl)-2-(5-chloro-2-methoxyanilino)acetamide
CID 42026368
2-(5-chloro-2-methoxyanilino)-N-(4-chloro-2-methylphenyl)acetamide
CID 7694831
2-(5-chloro-2-methoxyanilino)-N-(2,4-dichlorophenyl)acetamide
CID 9099077
N-(5-chloro-2-methoxyphenyl)-2-[(4-chlorophenyl)methylamino]acetamide
CID 108998151
2-(2,4-dichloroanilino)-N-(2-methoxy-5-methylphenyl)acetamide
CID 26417516
2-(5-chloro-2-methoxyanilino)-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide
CID 26417292

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]amino]-2-methylbutanoate?
The IUPAC name of methyl 2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]amino]-2-methylbutanoate (CID 56792966) is methyl 2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]amino]-2-methylbutanoate.
What is the SMILES notation for methyl 2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]amino]-2-methylbutanoate?
The canonical SMILES for methyl 2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]amino]-2-methylbutanoate is CCC(C)(NCC(=O)Nc1cc(Cl)ccc1OC)C(=O)OC.
What is the InChIKey of methyl 2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]amino]-2-methylbutanoate?
The InChIKey is JANALAKLUHIECD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O4/c1-5-15(2,14(20)22-4)17-9-13(19)18-11-8-10(16)6-7-12(11)21-3/h6-8,17H,5,9H2,1-4H3,(H,18,19).
What are the key properties of methyl 2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]amino]-2-methylbutanoate?
methyl 2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]amino]-2-methylbutanoate has a molecular weight of 328.80 g/mol, XLogP of 2.22, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]amino]-2-methylbutanoate is sourced from PubChem (CID 56792966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).