[1-oxo-1-(propan-2-ylamino)propan-2-yl] 3-(5-chloro-2-methoxyanilino)propanoate

C16H23ClN2O4 — CID 56806924

IUPAC[1-oxo-1-(propan-2-ylamino)propan-2-yl] 3-(5-chloro-2-methoxyanilino)propanoate
SMILESCOc1ccc(Cl)cc1NCCC(=O)OC(C)C(=O)NC(C)C
InChIInChI=1S/C16H23ClN2O4/c1-10(2)19-16(21)11(3)23-15(20)7-8-18-13-9-12(17)5-6-14(13)22-4/h5-6,9-11,18H,7-8H2,1-4H3,(H,19,21)
InChIKeyUFPXQXQQVIPMCK-UHFFFAOYSA-N
MW342.82 g/mol
LogP2.61
Rot. Bonds8

About [1-oxo-1-(propan-2-ylamino)propan-2-yl] 3-(5-chloro-2-methoxyanilino)propanoate

[1-oxo-1-(propan-2-ylamino)propan-2-yl] 3-(5-chloro-2-methoxyanilino)propanoate (PubChem CID 56806924) has the molecular formula C16H23ClN2O4 and a molecular weight of 342.82 g/mol. Its IUPAC name is [1-oxo-1-(propan-2-ylamino)propan-2-yl] 3-(5-chloro-2-methoxyanilino)propanoate.

Molecular Properties

Compound Name[1-oxo-1-(propan-2-ylamino)propan-2-yl] 3-(5-chloro-2-methoxyanilino)propanoate
PubChem CID56806924
Molecular FormulaC16H23ClN2O4
Molecular Weight342.82 g/mol
Exact Mass342.13
IUPAC Name[1-oxo-1-(propan-2-ylamino)propan-2-yl] 3-(5-chloro-2-methoxyanilino)propanoate
SMILESCOc1ccc(Cl)cc1NCCC(=O)OC(C)C(=O)NC(C)C
InChIInChI=1S/C16H23ClN2O4/c1-10(2)19-16(21)11(3)23-15(20)7-8-18-13-9-12(17)5-6-14(13)22-4/h5-6,9-11,18H,7-8H2,1-4H3,(H,19,21)
InChIKeyUFPXQXQQVIPMCK-UHFFFAOYSA-N
XLogP2.61
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.82
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-(5-chloro-2-methoxyanilino)propanoylamino]propanoic acid
CID 119225123
3-[3-(5-chloro-2-methoxyanilino)propanoylamino]butanoic acid
CID 119220785
[(2S)-1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl] 3,3-dimethylbutanoate
CID 7950775
[(2R)-1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl] 3-(phenylcarbamoylamino)propanoate
CID 7805410
2-[3-(5-chloro-2-methoxyanilino)propanoyl-methylamino]propanoic acid
CID 119208863
3-(5-chloro-2-methoxyanilino)-N-heptan-2-ylpropanamide
CID 56684594
[(2R)-1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl] 4-(4-methoxyphenoxy)butanoate
CID 7147098
[(2R)-1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl] 4-(2,5-dimethylphenyl)-4-oxobutanoate
CID 7212587
[1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl] 4-(2,5-dimethylphenyl)-4-oxobutanoate
CID 42969391
1-(azetidin-1-yl)-3-(5-chloro-2-methoxyanilino)propan-1-one
CID 75418068
2-[3-(5-chloro-2-methoxyanilino)propanoylamino]-2-methylpropanoic acid
CID 119187451
3-(5-chloro-2-methoxyanilino)-N-[2-(methylamino)propyl]propanamide
CID 120827355

Frequently Asked Questions

What is the IUPAC name of [1-oxo-1-(propan-2-ylamino)propan-2-yl] 3-(5-chloro-2-methoxyanilino)propanoate?
The IUPAC name of [1-oxo-1-(propan-2-ylamino)propan-2-yl] 3-(5-chloro-2-methoxyanilino)propanoate (CID 56806924) is [1-oxo-1-(propan-2-ylamino)propan-2-yl] 3-(5-chloro-2-methoxyanilino)propanoate.
What is the SMILES notation for [1-oxo-1-(propan-2-ylamino)propan-2-yl] 3-(5-chloro-2-methoxyanilino)propanoate?
The canonical SMILES for [1-oxo-1-(propan-2-ylamino)propan-2-yl] 3-(5-chloro-2-methoxyanilino)propanoate is COc1ccc(Cl)cc1NCCC(=O)OC(C)C(=O)NC(C)C.
What is the InChIKey of [1-oxo-1-(propan-2-ylamino)propan-2-yl] 3-(5-chloro-2-methoxyanilino)propanoate?
The InChIKey is UFPXQXQQVIPMCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2O4/c1-10(2)19-16(21)11(3)23-15(20)7-8-18-13-9-12(17)5-6-14(13)22-4/h5-6,9-11,18H,7-8H2,1-4H3,(H,19,21).
What are the key properties of [1-oxo-1-(propan-2-ylamino)propan-2-yl] 3-(5-chloro-2-methoxyanilino)propanoate?
[1-oxo-1-(propan-2-ylamino)propan-2-yl] 3-(5-chloro-2-methoxyanilino)propanoate has a molecular weight of 342.82 g/mol, XLogP of 2.61, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-oxo-1-(propan-2-ylamino)propan-2-yl] 3-(5-chloro-2-methoxyanilino)propanoate is sourced from PubChem (CID 56806924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).