propan-2-yl 3-(3-benzamidobutanoylamino)-3-(2-chlorophenyl)propanoate

C23H27ClN2O4 — CID 24516297

IUPACpropan-2-yl 3-(3-benzamidobutanoylamino)-3-(2-chlorophenyl)propanoate
SMILESCC(CC(=O)NC(CC(=O)OC(C)C)c1ccccc1Cl)NC(=O)c1ccccc1
InChIInChI=1S/C23H27ClN2O4/c1-15(2)30-22(28)14-20(18-11-7-8-12-19(18)24)26-21(27)13-16(3)25-23(29)17-9-5-4-6-10-17/h4-12,15-16,20H,13-14H2,1-3H3,(H,25,29)(H,26,27)
InChIKeyZRTXZTXIHOHLLE-UHFFFAOYSA-N
MW430.93 g/mol
LogP4.05
Rot. Bonds9

About propan-2-yl 3-(3-benzamidobutanoylamino)-3-(2-chlorophenyl)propanoate

propan-2-yl 3-(3-benzamidobutanoylamino)-3-(2-chlorophenyl)propanoate (PubChem CID 24516297) has the molecular formula C23H27ClN2O4 and a molecular weight of 430.93 g/mol. Its IUPAC name is propan-2-yl 3-(3-benzamidobutanoylamino)-3-(2-chlorophenyl)propanoate.

Molecular Properties

Compound Namepropan-2-yl 3-(3-benzamidobutanoylamino)-3-(2-chlorophenyl)propanoate
PubChem CID24516297
Molecular FormulaC23H27ClN2O4
Molecular Weight430.93 g/mol
Exact Mass430.17
IUPAC Namepropan-2-yl 3-(3-benzamidobutanoylamino)-3-(2-chlorophenyl)propanoate
SMILESCC(CC(=O)NC(CC(=O)OC(C)C)c1ccccc1Cl)NC(=O)c1ccccc1
InChIInChI=1S/C23H27ClN2O4/c1-15(2)30-22(28)14-20(18-11-7-8-12-19(18)24)26-21(27)13-16(3)25-23(29)17-9-5-4-6-10-17/h4-12,15-16,20H,13-14H2,1-3H3,(H,25,29)(H,26,27)
InChIKeyZRTXZTXIHOHLLE-UHFFFAOYSA-N
XLogP4.05
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.93
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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propan-2-yl 3-(2-chlorophenyl)-3-[3-(furan-2-yl)propanoylamino]propanoate
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propan-2-yl 3-(2-chlorophenyl)-3-[(2,5-dimethylfuran-3-carbonyl)amino]propanoate
CID 18274407
propan-2-yl 3-(2-chlorophenyl)-3-[(2,3,4,5-tetrafluorobenzoyl)amino]propanoate
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propan-2-yl 3-(2-chlorophenyl)-3-[[2-(3-ethyl-2-oxobenzimidazol-1-yl)acetyl]amino]propanoate
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propan-2-yl 3-[(5-acetamidothiophene-2-carbonyl)amino]-3-(2-chlorophenyl)propanoate
CID 24575025
methyl 3-(2-chlorophenyl)-3-[(4-fluorobenzoyl)amino]propanoate
CID 51256785
propan-2-yl 3-(2-chlorophenyl)-3-[3-(1-phenylpyrazol-4-yl)propanoylamino]propanoate
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methyl 3-benzamidobutanoate
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Frequently Asked Questions

What is the IUPAC name of propan-2-yl 3-(3-benzamidobutanoylamino)-3-(2-chlorophenyl)propanoate?
The IUPAC name of propan-2-yl 3-(3-benzamidobutanoylamino)-3-(2-chlorophenyl)propanoate (CID 24516297) is propan-2-yl 3-(3-benzamidobutanoylamino)-3-(2-chlorophenyl)propanoate.
What is the SMILES notation for propan-2-yl 3-(3-benzamidobutanoylamino)-3-(2-chlorophenyl)propanoate?
The canonical SMILES for propan-2-yl 3-(3-benzamidobutanoylamino)-3-(2-chlorophenyl)propanoate is CC(CC(=O)NC(CC(=O)OC(C)C)c1ccccc1Cl)NC(=O)c1ccccc1.
What is the InChIKey of propan-2-yl 3-(3-benzamidobutanoylamino)-3-(2-chlorophenyl)propanoate?
The InChIKey is ZRTXZTXIHOHLLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27ClN2O4/c1-15(2)30-22(28)14-20(18-11-7-8-12-19(18)24)26-21(27)13-16(3)25-23(29)17-9-5-4-6-10-17/h4-12,15-16,20H,13-14H2,1-3H3,(H,25,29)(H,26,27).
What are the key properties of propan-2-yl 3-(3-benzamidobutanoylamino)-3-(2-chlorophenyl)propanoate?
propan-2-yl 3-(3-benzamidobutanoylamino)-3-(2-chlorophenyl)propanoate has a molecular weight of 430.93 g/mol, XLogP of 4.05, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 3-(3-benzamidobutanoylamino)-3-(2-chlorophenyl)propanoate is sourced from PubChem (CID 24516297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).