(4-chlorophenyl)methyl 3-[(4-oxo-4-phenylbutanoyl)amino]propanoate

C20H20ClNO4 — CID 9333216

IUPAC(4-chlorophenyl)methyl 3-[(4-oxo-4-phenylbutanoyl)amino]propanoate
SMILESO=C(CCC(=O)c1ccccc1)NCCC(=O)OCc1ccc(Cl)cc1
InChIInChI=1S/C20H20ClNO4/c21-17-8-6-15(7-9-17)14-26-20(25)12-13-22-19(24)11-10-18(23)16-4-2-1-3-5-16/h1-9H,10-14H2,(H,22,24)
InChIKeyHZZJKJRLUDENPI-UHFFFAOYSA-N
MW373.84 g/mol
LogP3.55
Rot. Bonds9

About (4-chlorophenyl)methyl 3-[(4-oxo-4-phenylbutanoyl)amino]propanoate

(4-chlorophenyl)methyl 3-[(4-oxo-4-phenylbutanoyl)amino]propanoate (PubChem CID 9333216) has the molecular formula C20H20ClNO4 and a molecular weight of 373.84 g/mol. Its IUPAC name is (4-chlorophenyl)methyl 3-[(4-oxo-4-phenylbutanoyl)amino]propanoate.

Molecular Properties

Compound Name(4-chlorophenyl)methyl 3-[(4-oxo-4-phenylbutanoyl)amino]propanoate
PubChem CID9333216
Molecular FormulaC20H20ClNO4
Molecular Weight373.84 g/mol
Exact Mass373.11
IUPAC Name(4-chlorophenyl)methyl 3-[(4-oxo-4-phenylbutanoyl)amino]propanoate
SMILESO=C(CCC(=O)c1ccccc1)NCCC(=O)OCc1ccc(Cl)cc1
InChIInChI=1S/C20H20ClNO4/c21-17-8-6-15(7-9-17)14-26-20(25)12-13-22-19(24)11-10-18(23)16-4-2-1-3-5-16/h1-9H,10-14H2,(H,22,24)
InChIKeyHZZJKJRLUDENPI-UHFFFAOYSA-N
XLogP3.55
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.84
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-[2-[(4-oxo-4-phenylbutanoyl)amino]ethyl]benzamide
CID 134039930
N-(2-aminoethyl)-4-(4-chlorophenyl)-4-oxobutanamide;hydrochloride
CID 119384394
(4-chlorophenyl)methyl 3-(benzenesulfonamido)propanoate
CID 7913012
benzyl 2-[[4-(4-methylphenyl)-4-oxobutanoyl]amino]acetate
CID 26878237
2-(4-bromophenoxy)ethyl 3-[(4-oxo-4-phenylbutanoyl)amino]propanoate
CID 47011995
4-(4-chlorophenyl)-N-[3-(4-hydroxyphenyl)propyl]-4-oxobutanamide
CID 110618107
N-(3-aminopropyl)-4-(4-chlorophenyl)-4-oxobutanamide;hydrochloride
CID 119407638
(3-morpholin-4-ylsulfonylphenyl)methyl 3-[(4-oxo-4-phenylbutanoyl)amino]propanoate
CID 47012023
ethyl 3-[[2-(4-chlorophenyl)acetyl]amino]propanoate
CID 50851083
benzyl 2-[[4-(3,4-dimethylphenyl)-4-oxobutanoyl]amino]acetate
CID 26263009
[(2R)-1-[[(1S)-1-(2,4-dichlorophenyl)ethyl]amino]-1-oxopropan-2-yl] 3-[(4-oxo-4-phenylbutanoyl)amino]propanoate
CID 51556459
benzyl 3-[(4-amino-3-hydroxybutanoyl)amino]propanoate
CID 19883631

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)methyl 3-[(4-oxo-4-phenylbutanoyl)amino]propanoate?
The IUPAC name of (4-chlorophenyl)methyl 3-[(4-oxo-4-phenylbutanoyl)amino]propanoate (CID 9333216) is (4-chlorophenyl)methyl 3-[(4-oxo-4-phenylbutanoyl)amino]propanoate.
What is the SMILES notation for (4-chlorophenyl)methyl 3-[(4-oxo-4-phenylbutanoyl)amino]propanoate?
The canonical SMILES for (4-chlorophenyl)methyl 3-[(4-oxo-4-phenylbutanoyl)amino]propanoate is O=C(CCC(=O)c1ccccc1)NCCC(=O)OCc1ccc(Cl)cc1.
What is the InChIKey of (4-chlorophenyl)methyl 3-[(4-oxo-4-phenylbutanoyl)amino]propanoate?
The InChIKey is HZZJKJRLUDENPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClNO4/c21-17-8-6-15(7-9-17)14-26-20(25)12-13-22-19(24)11-10-18(23)16-4-2-1-3-5-16/h1-9H,10-14H2,(H,22,24).
What are the key properties of (4-chlorophenyl)methyl 3-[(4-oxo-4-phenylbutanoyl)amino]propanoate?
(4-chlorophenyl)methyl 3-[(4-oxo-4-phenylbutanoyl)amino]propanoate has a molecular weight of 373.84 g/mol, XLogP of 3.55, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)methyl 3-[(4-oxo-4-phenylbutanoyl)amino]propanoate is sourced from PubChem (CID 9333216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).