[2-[(1-methoxy-3-methyl-1-oxopentan-2-yl)amino]-2-oxoethyl] 2,4-dichlorobenzoate

C16H19Cl2NO5 — CID 18202404

IUPAC[2-[(1-methoxy-3-methyl-1-oxopentan-2-yl)amino]-2-oxoethyl] 2,4-dichlorobenzoate
SMILESCCC(C)C(NC(=O)COC(=O)c1ccc(Cl)cc1Cl)C(=O)OC
InChIInChI=1S/C16H19Cl2NO5/c1-4-9(2)14(16(22)23-3)19-13(20)8-24-15(21)11-6-5-10(17)7-12(11)18/h5-7,9,14H,4,8H2,1-3H3,(H,19,20)
InChIKeySYWDWHVVKCOJRR-UHFFFAOYSA-N
MW376.24 g/mol
LogP2.85
Rot. Bonds7

About [2-[(1-methoxy-3-methyl-1-oxopentan-2-yl)amino]-2-oxoethyl] 2,4-dichlorobenzoate

[2-[(1-methoxy-3-methyl-1-oxopentan-2-yl)amino]-2-oxoethyl] 2,4-dichlorobenzoate (PubChem CID 18202404) has the molecular formula C16H19Cl2NO5 and a molecular weight of 376.24 g/mol. Its IUPAC name is [2-[(1-methoxy-3-methyl-1-oxopentan-2-yl)amino]-2-oxoethyl] 2,4-dichlorobenzoate.

Molecular Properties

Compound Name[2-[(1-methoxy-3-methyl-1-oxopentan-2-yl)amino]-2-oxoethyl] 2,4-dichlorobenzoate
PubChem CID18202404
Molecular FormulaC16H19Cl2NO5
Molecular Weight376.24 g/mol
Exact Mass375.06
IUPAC Name[2-[(1-methoxy-3-methyl-1-oxopentan-2-yl)amino]-2-oxoethyl] 2,4-dichlorobenzoate
SMILESCCC(C)C(NC(=O)COC(=O)c1ccc(Cl)cc1Cl)C(=O)OC
InChIInChI=1S/C16H19Cl2NO5/c1-4-9(2)14(16(22)23-3)19-13(20)8-24-15(21)11-6-5-10(17)7-12(11)18/h5-7,9,14H,4,8H2,1-3H3,(H,19,20)
InChIKeySYWDWHVVKCOJRR-UHFFFAOYSA-N
XLogP2.85
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.24
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [2-[(1-methoxy-3-methyl-1-oxopentan-2-yl)amino]-2-oxoethyl] 2,4-dichlorobenzoate with MolForge

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Launch Full Analysis

Related Compounds

[2-[(1-methoxy-3-methyl-1-oxopentan-2-yl)amino]-2-oxoethyl] 5-chloro-2-methoxybenzoate
CID 18201939
[2-[[(2S,3R)-1-methoxy-3-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl] 4-chloro-2-nitrobenzoate
CID 9015630
[2-[(1-methoxy-3-methyl-1-oxopentan-2-yl)amino]-2-oxoethyl] 4-chlorobenzoate
CID 18200968
[2-[[(2R,3R)-1-methoxy-3-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl] 5-chloro-2-nitrobenzoate
CID 9286249
[2-[(1-methoxy-3-methyl-1-oxopentan-2-yl)amino]-2-oxoethyl] 3-chlorobenzoate
CID 18201042
[2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-2-oxoethyl] 2,4-dichlorobenzoate
CID 7873156
[2-[[(1R)-1-(4-methylphenyl)ethyl]amino]-2-oxoethyl] 2,4-dichlorobenzoate
CID 95796841
[2-[[(2S,3R)-1-methoxy-3-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl] 2,4-dimethoxybenzoate
CID 9203537
[2-[(1-methoxy-3-methyl-1-oxopentan-2-yl)amino]-2-oxoethyl] 2,3,4-trimethoxybenzoate
CID 18201102
methyl (2R,3R)-2-[[2-[2-(4-chlorophenyl)acetyl]oxyacetyl]amino]-3-methylpentanoate
CID 9229352
methyl 2-[4-(2,4-dichlorophenoxy)butanoylamino]-3-methylpentanoate
CID 112791614
[2-[[(2S,3S)-1-methoxy-3-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl] 2-(methylamino)benzoate
CID 9289420

Frequently Asked Questions

What is the IUPAC name of [2-[(1-methoxy-3-methyl-1-oxopentan-2-yl)amino]-2-oxoethyl] 2,4-dichlorobenzoate?
The IUPAC name of [2-[(1-methoxy-3-methyl-1-oxopentan-2-yl)amino]-2-oxoethyl] 2,4-dichlorobenzoate (CID 18202404) is [2-[(1-methoxy-3-methyl-1-oxopentan-2-yl)amino]-2-oxoethyl] 2,4-dichlorobenzoate.
What is the SMILES notation for [2-[(1-methoxy-3-methyl-1-oxopentan-2-yl)amino]-2-oxoethyl] 2,4-dichlorobenzoate?
The canonical SMILES for [2-[(1-methoxy-3-methyl-1-oxopentan-2-yl)amino]-2-oxoethyl] 2,4-dichlorobenzoate is CCC(C)C(NC(=O)COC(=O)c1ccc(Cl)cc1Cl)C(=O)OC.
What is the InChIKey of [2-[(1-methoxy-3-methyl-1-oxopentan-2-yl)amino]-2-oxoethyl] 2,4-dichlorobenzoate?
The InChIKey is SYWDWHVVKCOJRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19Cl2NO5/c1-4-9(2)14(16(22)23-3)19-13(20)8-24-15(21)11-6-5-10(17)7-12(11)18/h5-7,9,14H,4,8H2,1-3H3,(H,19,20).
What are the key properties of [2-[(1-methoxy-3-methyl-1-oxopentan-2-yl)amino]-2-oxoethyl] 2,4-dichlorobenzoate?
[2-[(1-methoxy-3-methyl-1-oxopentan-2-yl)amino]-2-oxoethyl] 2,4-dichlorobenzoate has a molecular weight of 376.24 g/mol, XLogP of 2.85, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(1-methoxy-3-methyl-1-oxopentan-2-yl)amino]-2-oxoethyl] 2,4-dichlorobenzoate is sourced from PubChem (CID 18202404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).