3,3-bis(4-acetamidophenyl)propanoic acid

C19H20N2O4 — CID 20632812

IUPAC3,3-bis(4-acetamidophenyl)propanoic acid
SMILESCC(=O)Nc1ccc(C(CC(=O)O)c2ccc(NC(C)=O)cc2)cc1
InChIInChI=1S/C19H20N2O4/c1-12(22)20-16-7-3-14(4-8-16)18(11-19(24)25)15-5-9-17(10-6-15)21-13(2)23/h3-10,18H,11H2,1-2H3,(H,20,22)(H,21,23)(H,24,25)
InChIKeyQIVSJWCDVLUJTO-UHFFFAOYSA-N
MW340.38 g/mol
LogP3.21
Rot. Bonds6

About 3,3-bis(4-acetamidophenyl)propanoic acid

3,3-bis(4-acetamidophenyl)propanoic acid (PubChem CID 20632812) has the molecular formula C19H20N2O4 and a molecular weight of 340.38 g/mol. Its IUPAC name is 3,3-bis(4-acetamidophenyl)propanoic acid.

Molecular Properties

Compound Name3,3-bis(4-acetamidophenyl)propanoic acid
PubChem CID20632812
Molecular FormulaC19H20N2O4
Molecular Weight340.38 g/mol
Exact Mass340.14
IUPAC Name3,3-bis(4-acetamidophenyl)propanoic acid
SMILESCC(=O)Nc1ccc(C(CC(=O)O)c2ccc(NC(C)=O)cc2)cc1
InChIInChI=1S/C19H20N2O4/c1-12(22)20-16-7-3-14(4-8-16)18(11-19(24)25)15-5-9-17(10-6-15)21-13(2)23/h3-10,18H,11H2,1-2H3,(H,20,22)(H,21,23)(H,24,25)
InChIKeyQIVSJWCDVLUJTO-UHFFFAOYSA-N
XLogP3.21
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 53.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-3-(4-acetamidophenyl)-3-hydroxypropanoic acid
CID 95997401
4-(4-acetamidophenyl)-4-hydroxy-3-(methylamino)butanoic acid
CID 82348713
N-[4-[3-(4-acetamidophenyl)-1,3-dichloro-2-oxopropyl]phenyl]acetamide
CID 139644819
3-[4-(2-acetamidopropanoylamino)phenyl]butanoic acid
CID 104501839
2-[[2-(4-acetamidophenyl)-2-hydroxyethyl]amino]acetic acid
CID 82314595
4-(4-acetamidophenyl)-3-bromo-4-oxobutanoic acid
CID 79786902
4-(4-acetamidophenyl)-3-aminobutanoic acid
CID 82350791
4-(4-acetamidophenyl)-3-bromobutanoic acid
CID 82351983
3-(4-acetamidoanilino)-3-oxopropanoic acid
CID 55049633
N-[4-[1-(4-formamidophenyl)propyl]phenyl]acetamide
CID 59095975
N-[4-(1-amino-2-fluoroethyl)phenyl]acetamide
CID 130059747
N-[4-(2-bromo-1-hydroxyethyl)phenyl]acetamide
CID 22563212

Frequently Asked Questions

What is the IUPAC name of 3,3-bis(4-acetamidophenyl)propanoic acid?
The IUPAC name of 3,3-bis(4-acetamidophenyl)propanoic acid (CID 20632812) is 3,3-bis(4-acetamidophenyl)propanoic acid.
What is the SMILES notation for 3,3-bis(4-acetamidophenyl)propanoic acid?
The canonical SMILES for 3,3-bis(4-acetamidophenyl)propanoic acid is CC(=O)Nc1ccc(C(CC(=O)O)c2ccc(NC(C)=O)cc2)cc1.
What is the InChIKey of 3,3-bis(4-acetamidophenyl)propanoic acid?
The InChIKey is QIVSJWCDVLUJTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O4/c1-12(22)20-16-7-3-14(4-8-16)18(11-19(24)25)15-5-9-17(10-6-15)21-13(2)23/h3-10,18H,11H2,1-2H3,(H,20,22)(H,21,23)(H,24,25).
What are the key properties of 3,3-bis(4-acetamidophenyl)propanoic acid?
3,3-bis(4-acetamidophenyl)propanoic acid has a molecular weight of 340.38 g/mol, XLogP of 3.21, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-bis(4-acetamidophenyl)propanoic acid is sourced from PubChem (CID 20632812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).