methyl 3-(4-acetylphenyl)-3-benzamidopropanoate

C19H19NO4 — CID 18797721

IUPACmethyl 3-(4-acetylphenyl)-3-benzamidopropanoate
SMILESCOC(=O)CC(NC(=O)c1ccccc1)c1ccc(C(C)=O)cc1
InChIInChI=1S/C19H19NO4/c1-13(21)14-8-10-15(11-9-14)17(12-18(22)24-2)20-19(23)16-6-4-3-5-7-16/h3-11,17H,12H2,1-2H3,(H,20,23)
InChIKeySQXCKZWVQMVSBO-UHFFFAOYSA-N
MW325.36 g/mol
LogP2.92
Rot. Bonds6

About methyl 3-(4-acetylphenyl)-3-benzamidopropanoate

methyl 3-(4-acetylphenyl)-3-benzamidopropanoate (PubChem CID 18797721) has the molecular formula C19H19NO4 and a molecular weight of 325.36 g/mol. Its IUPAC name is methyl 3-(4-acetylphenyl)-3-benzamidopropanoate.

Molecular Properties

Compound Namemethyl 3-(4-acetylphenyl)-3-benzamidopropanoate
PubChem CID18797721
Molecular FormulaC19H19NO4
Molecular Weight325.36 g/mol
Exact Mass325.13
IUPAC Namemethyl 3-(4-acetylphenyl)-3-benzamidopropanoate
SMILESCOC(=O)CC(NC(=O)c1ccccc1)c1ccc(C(C)=O)cc1
InChIInChI=1S/C19H19NO4/c1-13(21)14-8-10-15(11-9-14)17(12-18(22)24-2)20-19(23)16-6-4-3-5-7-16/h3-11,17H,12H2,1-2H3,(H,20,23)
InChIKeySQXCKZWVQMVSBO-UHFFFAOYSA-N
XLogP2.92
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.36
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (3R)-3-[(4-methylbenzoyl)amino]-3-phenylpropanoate
CID 2054812
methyl 3-benzamido-3-[4-(trifluoromethyl)phenyl]propanoate
CID 18797714
methyl 3-[(4-tert-butylbenzoyl)amino]-3-phenylpropanoate
CID 46637564
methyl 3-(4-phenylphenyl)-3-[[4-[4-(trifluoromethyl)phenyl]benzoyl]amino]propanoate
CID 69400035
methyl (3S)-3-[(4-nitrobenzoyl)amino]-3-phenylpropanoate
CID 91556089
methyl (3S)-3-(furan-3-carbonylamino)-3-phenylpropanoate
CID 41177012
methyl 3-phenyl-3-[[4-(propan-2-yloxymethyl)benzoyl]amino]propanoate
CID 47013808
methyl 3-[[2-(4-acetylphenoxy)acetyl]amino]-3-phenylpropanoate
CID 46637572
methyl 3-phenyl-3-[(3,4,5-triethoxybenzoyl)amino]propanoate
CID 46483385
3-benzamido-3-phenylpropanoic acid
CID 2834576
(3S)-3-benzamido-3-phenylpropanoic acid
CID 788098
ethyl (3S)-3-benzamido-3-(4-ethoxyphenyl)propanoate
CID 7310443

Frequently Asked Questions

What is the IUPAC name of methyl 3-(4-acetylphenyl)-3-benzamidopropanoate?
The IUPAC name of methyl 3-(4-acetylphenyl)-3-benzamidopropanoate (CID 18797721) is methyl 3-(4-acetylphenyl)-3-benzamidopropanoate.
What is the SMILES notation for methyl 3-(4-acetylphenyl)-3-benzamidopropanoate?
The canonical SMILES for methyl 3-(4-acetylphenyl)-3-benzamidopropanoate is COC(=O)CC(NC(=O)c1ccccc1)c1ccc(C(C)=O)cc1.
What is the InChIKey of methyl 3-(4-acetylphenyl)-3-benzamidopropanoate?
The InChIKey is SQXCKZWVQMVSBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO4/c1-13(21)14-8-10-15(11-9-14)17(12-18(22)24-2)20-19(23)16-6-4-3-5-7-16/h3-11,17H,12H2,1-2H3,(H,20,23).
What are the key properties of methyl 3-(4-acetylphenyl)-3-benzamidopropanoate?
methyl 3-(4-acetylphenyl)-3-benzamidopropanoate has a molecular weight of 325.36 g/mol, XLogP of 2.92, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(4-acetylphenyl)-3-benzamidopropanoate is sourced from PubChem (CID 18797721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).