[1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 2-[(2,4-dichlorobenzoyl)amino]acetate

C15H17Cl2N3O5 — CID 46789289

IUPAC[1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 2-[(2,4-dichlorobenzoyl)amino]acetate
SMILESCC(C)C(OC(=O)CNC(=O)c1ccc(Cl)cc1Cl)C(=O)NC(N)=O
InChIInChI=1S/C15H17Cl2N3O5/c1-7(2)12(14(23)20-15(18)24)25-11(21)6-19-13(22)9-4-3-8(16)5-10(9)17/h3-5,7,12H,6H2,1-2H3,(H,19,22)(H3,18,20,23,24)
InChIKeyXHDZRFQZHQECMW-UHFFFAOYSA-N
MW390.22 g/mol
LogP1.49
Rot. Bonds6

About [1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 2-[(2,4-dichlorobenzoyl)amino]acetate

[1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 2-[(2,4-dichlorobenzoyl)amino]acetate (PubChem CID 46789289) has the molecular formula C15H17Cl2N3O5 and a molecular weight of 390.22 g/mol. Its IUPAC name is [1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 2-[(2,4-dichlorobenzoyl)amino]acetate.

Molecular Properties

Compound Name[1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 2-[(2,4-dichlorobenzoyl)amino]acetate
PubChem CID46789289
Molecular FormulaC15H17Cl2N3O5
Molecular Weight390.22 g/mol
Exact Mass389.05
IUPAC Name[1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 2-[(2,4-dichlorobenzoyl)amino]acetate
SMILESCC(C)C(OC(=O)CNC(=O)c1ccc(Cl)cc1Cl)C(=O)NC(N)=O
InChIInChI=1S/C15H17Cl2N3O5/c1-7(2)12(14(23)20-15(18)24)25-11(21)6-19-13(22)9-4-3-8(16)5-10(9)17/h3-5,7,12H,6H2,1-2H3,(H,19,22)(H3,18,20,23,24)
InChIKeyXHDZRFQZHQECMW-UHFFFAOYSA-N
XLogP1.49
TPSA127.59 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.22
LogP ≤ 51.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

[(2R)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 2,4-dichlorobenzoate
CID 7873069
[(1R)-1-cyanoethyl] 2-[(2,4-dichlorobenzoyl)amino]acetate
CID 7843849
[(2S)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 2-[[2-(difluoromethoxy)benzoyl]amino]acetate
CID 7770946
[(2R)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 2-(2-bromo-4-chlorophenoxy)acetate
CID 8525701
[1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] (E)-3-(2,4-dichlorophenyl)prop-2-enoate
CID 46790952
[1-(4-methylanilino)-1-oxopropan-2-yl] 2-[(2,4-dichlorobenzoyl)amino]acetate
CID 3692292
2-oxopropyl 2-[(2,4-dichlorobenzoyl)amino]acetate
CID 7843867
[(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl] 2-[(2,4-dichlorobenzoyl)amino]acetate
CID 7843840
[(2R)-1-[[(1R,2R)-2-methylcyclohexyl]amino]-1-oxopropan-2-yl] 2-[(2,4-dichlorobenzoyl)amino]acetate
CID 11938439
[2-[[(2R)-butan-2-yl]amino]-2-oxoethyl] 2-[(2,4-dichlorobenzoyl)amino]acetate
CID 7843801
2-(4-ethoxyphenoxy)ethyl 2-[(2,4-dichlorobenzoyl)amino]acetate
CID 7843780
[1-oxo-1-(2,4,5-trimethylphenyl)propan-2-yl] 2-[[2-[(2,4-dichlorobenzoyl)amino]acetyl]amino]acetate
CID 46794783

Frequently Asked Questions

What is the IUPAC name of [1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 2-[(2,4-dichlorobenzoyl)amino]acetate?
The IUPAC name of [1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 2-[(2,4-dichlorobenzoyl)amino]acetate (CID 46789289) is [1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 2-[(2,4-dichlorobenzoyl)amino]acetate.
What is the SMILES notation for [1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 2-[(2,4-dichlorobenzoyl)amino]acetate?
The canonical SMILES for [1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 2-[(2,4-dichlorobenzoyl)amino]acetate is CC(C)C(OC(=O)CNC(=O)c1ccc(Cl)cc1Cl)C(=O)NC(N)=O.
What is the InChIKey of [1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 2-[(2,4-dichlorobenzoyl)amino]acetate?
The InChIKey is XHDZRFQZHQECMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17Cl2N3O5/c1-7(2)12(14(23)20-15(18)24)25-11(21)6-19-13(22)9-4-3-8(16)5-10(9)17/h3-5,7,12H,6H2,1-2H3,(H,19,22)(H3,18,20,23,24).
What are the key properties of [1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 2-[(2,4-dichlorobenzoyl)amino]acetate?
[1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 2-[(2,4-dichlorobenzoyl)amino]acetate has a molecular weight of 390.22 g/mol, XLogP of 1.49, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 2-[(2,4-dichlorobenzoyl)amino]acetate is sourced from PubChem (CID 46789289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).