[2-[2-(2-methylpropylcarbamoyl)anilino]-2-oxoethyl] 3-acetamido-3-(4-chlorophenyl)propanoate

C24H28ClN3O5 — CID 55380420

IUPAC[2-[2-(2-methylpropylcarbamoyl)anilino]-2-oxoethyl] 3-acetamido-3-(4-chlorophenyl)propanoate
SMILESCC(=O)NC(CC(=O)OCC(=O)Nc1ccccc1C(=O)NCC(C)C)c1ccc(Cl)cc1
InChIInChI=1S/C24H28ClN3O5/c1-15(2)13-26-24(32)19-6-4-5-7-20(19)28-22(30)14-33-23(31)12-21(27-16(3)29)17-8-10-18(25)11-9-17/h4-11,15,21H,12-14H2,1-3H3,(H,26,32)(H,27,29)(H,28,30)
InChIKeyNYNXHGSCDVYCSW-UHFFFAOYSA-N
MW473.96 g/mol
LogP3.47
Rot. Bonds10

About [2-[2-(2-methylpropylcarbamoyl)anilino]-2-oxoethyl] 3-acetamido-3-(4-chlorophenyl)propanoate

[2-[2-(2-methylpropylcarbamoyl)anilino]-2-oxoethyl] 3-acetamido-3-(4-chlorophenyl)propanoate (PubChem CID 55380420) has the molecular formula C24H28ClN3O5 and a molecular weight of 473.96 g/mol. Its IUPAC name is [2-[2-(2-methylpropylcarbamoyl)anilino]-2-oxoethyl] 3-acetamido-3-(4-chlorophenyl)propanoate.

Molecular Properties

Compound Name[2-[2-(2-methylpropylcarbamoyl)anilino]-2-oxoethyl] 3-acetamido-3-(4-chlorophenyl)propanoate
PubChem CID55380420
Molecular FormulaC24H28ClN3O5
Molecular Weight473.96 g/mol
Exact Mass473.17
IUPAC Name[2-[2-(2-methylpropylcarbamoyl)anilino]-2-oxoethyl] 3-acetamido-3-(4-chlorophenyl)propanoate
SMILESCC(=O)NC(CC(=O)OCC(=O)Nc1ccccc1C(=O)NCC(C)C)c1ccc(Cl)cc1
InChIInChI=1S/C24H28ClN3O5/c1-15(2)13-26-24(32)19-6-4-5-7-20(19)28-22(30)14-33-23(31)12-21(27-16(3)29)17-8-10-18(25)11-9-17/h4-11,15,21H,12-14H2,1-3H3,(H,26,32)(H,27,29)(H,28,30)
InChIKeyNYNXHGSCDVYCSW-UHFFFAOYSA-N
XLogP3.47
TPSA113.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.96
LogP ≤ 53.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[2-(2-methylpropylcarbamoyl)anilino]-2-oxoethyl] 2-(4-propan-2-ylphenoxy)acetate
CID 8598474
[2-[2-(2-methylpropylcarbamoyl)anilino]-2-oxoethyl] 2-[(2,4-dichlorobenzoyl)amino]acetate
CID 31124240
[2-[(2-methoxybenzoyl)amino]-2-oxoethyl] 3-acetamido-3-(4-chlorophenyl)propanoate
CID 55380231
[2-(4-methoxyanilino)-2-oxoethyl] 3-acetamido-3-(4-chlorophenyl)propanoate
CID 55380350
2-[[2-(2-chlorophenoxy)acetyl]amino]-N-(2-methylpropyl)benzamide
CID 1331749
[2-oxo-2-(thiophene-2-carbonylamino)ethyl] 3-acetamido-3-(4-chlorophenyl)propanoate
CID 43030544
N-(2-methylpropyl)-2-[(2-phenoxyacetyl)amino]benzamide
CID 18089922
[2-(2-chloro-4-methylanilino)-2-oxoethyl] (3S)-3-acetamido-3-phenylpropanoate
CID 7132905
[2-[2-(2-methylpropylcarbamoyl)anilino]-2-oxoethyl] (1S)-2,2-dichloro-1-methylcyclopropane-1-carboxylate
CID 9454637
[2-[2-(2-methylpropylcarbamoyl)anilino]-2-oxoethyl] 3-(2-methoxyphenoxy)propanoate
CID 55318028
[2-[2-(2-methylpropylcarbamoyl)anilino]-2-oxoethyl] 2-(2-oxo-1,3-thiazolidin-3-yl)acetate
CID 9003621
[2-(2-methylpropylamino)-2-oxoethyl] 2-[(4-chlorobenzoyl)amino]benzoate
CID 30221116

Frequently Asked Questions

What is the IUPAC name of [2-[2-(2-methylpropylcarbamoyl)anilino]-2-oxoethyl] 3-acetamido-3-(4-chlorophenyl)propanoate?
The IUPAC name of [2-[2-(2-methylpropylcarbamoyl)anilino]-2-oxoethyl] 3-acetamido-3-(4-chlorophenyl)propanoate (CID 55380420) is [2-[2-(2-methylpropylcarbamoyl)anilino]-2-oxoethyl] 3-acetamido-3-(4-chlorophenyl)propanoate.
What is the SMILES notation for [2-[2-(2-methylpropylcarbamoyl)anilino]-2-oxoethyl] 3-acetamido-3-(4-chlorophenyl)propanoate?
The canonical SMILES for [2-[2-(2-methylpropylcarbamoyl)anilino]-2-oxoethyl] 3-acetamido-3-(4-chlorophenyl)propanoate is CC(=O)NC(CC(=O)OCC(=O)Nc1ccccc1C(=O)NCC(C)C)c1ccc(Cl)cc1.
What is the InChIKey of [2-[2-(2-methylpropylcarbamoyl)anilino]-2-oxoethyl] 3-acetamido-3-(4-chlorophenyl)propanoate?
The InChIKey is NYNXHGSCDVYCSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28ClN3O5/c1-15(2)13-26-24(32)19-6-4-5-7-20(19)28-22(30)14-33-23(31)12-21(27-16(3)29)17-8-10-18(25)11-9-17/h4-11,15,21H,12-14H2,1-3H3,(H,26,32)(H,27,29)(H,28,30).
What are the key properties of [2-[2-(2-methylpropylcarbamoyl)anilino]-2-oxoethyl] 3-acetamido-3-(4-chlorophenyl)propanoate?
[2-[2-(2-methylpropylcarbamoyl)anilino]-2-oxoethyl] 3-acetamido-3-(4-chlorophenyl)propanoate has a molecular weight of 473.96 g/mol, XLogP of 3.47, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(2-methylpropylcarbamoyl)anilino]-2-oxoethyl] 3-acetamido-3-(4-chlorophenyl)propanoate is sourced from PubChem (CID 55380420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).