5-(3,3-diphenylpropanoylamino)benzene-1,3-dicarboxylic acid

C23H19NO5 — CID 45428443

IUPAC5-(3,3-diphenylpropanoylamino)benzene-1,3-dicarboxylic acid
SMILESO=C(CC(c1ccccc1)c1ccccc1)Nc1cc(C(=O)O)cc(C(=O)O)c1
InChIInChI=1S/C23H19NO5/c25-21(24-19-12-17(22(26)27)11-18(13-19)23(28)29)14-20(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-13,20H,14H2,(H,24,25)(H,26,27)(H,28,29)
InChIKeyKAFVJOAINXKYGN-UHFFFAOYSA-N
MW389.41 g/mol
LogP4.24
Rot. Bonds7

About 5-(3,3-diphenylpropanoylamino)benzene-1,3-dicarboxylic acid

5-(3,3-diphenylpropanoylamino)benzene-1,3-dicarboxylic acid (PubChem CID 45428443) has the molecular formula C23H19NO5 and a molecular weight of 389.41 g/mol. Its IUPAC name is 5-(3,3-diphenylpropanoylamino)benzene-1,3-dicarboxylic acid.

Molecular Properties

Compound Name5-(3,3-diphenylpropanoylamino)benzene-1,3-dicarboxylic acid
PubChem CID45428443
Molecular FormulaC23H19NO5
Molecular Weight389.41 g/mol
Exact Mass389.13
IUPAC Name5-(3,3-diphenylpropanoylamino)benzene-1,3-dicarboxylic acid
SMILESO=C(CC(c1ccccc1)c1ccccc1)Nc1cc(C(=O)O)cc(C(=O)O)c1
InChIInChI=1S/C23H19NO5/c25-21(24-19-12-17(22(26)27)11-18(13-19)23(28)29)14-20(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-13,20H,14H2,(H,24,25)(H,26,27)(H,28,29)
InChIKeyKAFVJOAINXKYGN-UHFFFAOYSA-N
XLogP4.24
TPSA103.70 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.41
LogP ≤ 54.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(2-phenylacetyl)amino]benzene-1,3-dicarboxylic acid
CID 1369682
N-(4-hydroxyphenyl)-3,3-diphenylpropanamide
CID 836165
N-(3-acetamidophenyl)-3,3-diphenylpropanamide
CID 1190632
N-(3,4-dichlorophenyl)-3,3-diphenylpropanamide
CID 1019297
N-(3-iodophenyl)-3,3-diphenylpropanamide
CID 1297500
3,5-bis[(2,2-diphenylacetyl)amino]benzoic acid
CID 2261290
N-(3-amino-4-chlorophenyl)-3,3-diphenylpropanamide
CID 28866941
5-[(2-pyridin-2-ylsulfanylacetyl)amino]benzene-1,3-dicarboxylic acid
CID 708008
N-(4-ethoxyphenyl)-3,3-diphenylpropanamide
CID 836173
N-[4-(difluoromethoxy)phenyl]-3,3-diphenylpropanamide
CID 7941321
N-methyl-3,3-diphenylpropanamide
CID 3373592
N-(3,3-diphenylpropanoyl)benzamide
CID 101440172

Frequently Asked Questions

What is the IUPAC name of 5-(3,3-diphenylpropanoylamino)benzene-1,3-dicarboxylic acid?
The IUPAC name of 5-(3,3-diphenylpropanoylamino)benzene-1,3-dicarboxylic acid (CID 45428443) is 5-(3,3-diphenylpropanoylamino)benzene-1,3-dicarboxylic acid.
What is the SMILES notation for 5-(3,3-diphenylpropanoylamino)benzene-1,3-dicarboxylic acid?
The canonical SMILES for 5-(3,3-diphenylpropanoylamino)benzene-1,3-dicarboxylic acid is O=C(CC(c1ccccc1)c1ccccc1)Nc1cc(C(=O)O)cc(C(=O)O)c1.
What is the InChIKey of 5-(3,3-diphenylpropanoylamino)benzene-1,3-dicarboxylic acid?
The InChIKey is KAFVJOAINXKYGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19NO5/c25-21(24-19-12-17(22(26)27)11-18(13-19)23(28)29)14-20(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-13,20H,14H2,(H,24,25)(H,26,27)(H,28,29).
What are the key properties of 5-(3,3-diphenylpropanoylamino)benzene-1,3-dicarboxylic acid?
5-(3,3-diphenylpropanoylamino)benzene-1,3-dicarboxylic acid has a molecular weight of 389.41 g/mol, XLogP of 4.24, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,3-diphenylpropanoylamino)benzene-1,3-dicarboxylic acid is sourced from PubChem (CID 45428443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).