bis(4-acetamidophenyl) propanedioate

C19H18N2O6 — CID 58435595

IUPACbis(4-acetamidophenyl) propanedioate
SMILESCC(=O)Nc1ccc(OC(=O)CC(=O)Oc2ccc(NC(C)=O)cc2)cc1
InChIInChI=1S/C19H18N2O6/c1-12(22)20-14-3-7-16(8-4-14)26-18(24)11-19(25)27-17-9-5-15(6-10-17)21-13(2)23/h3-10H,11H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyZZCSYQSMCZOBPC-UHFFFAOYSA-N
MW370.36 g/mol
LogP2.50
Rot. Bonds6

About bis(4-acetamidophenyl) propanedioate

bis(4-acetamidophenyl) propanedioate (PubChem CID 58435595) has the molecular formula C19H18N2O6 and a molecular weight of 370.36 g/mol. Its IUPAC name is bis(4-acetamidophenyl) propanedioate.

Molecular Properties

Compound Namebis(4-acetamidophenyl) propanedioate
PubChem CID58435595
Molecular FormulaC19H18N2O6
Molecular Weight370.36 g/mol
Exact Mass370.12
IUPAC Namebis(4-acetamidophenyl) propanedioate
SMILESCC(=O)Nc1ccc(OC(=O)CC(=O)Oc2ccc(NC(C)=O)cc2)cc1
InChIInChI=1S/C19H18N2O6/c1-12(22)20-14-3-7-16(8-4-14)26-18(24)11-19(25)27-17-9-5-15(6-10-17)21-13(2)23/h3-10H,11H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyZZCSYQSMCZOBPC-UHFFFAOYSA-N
XLogP2.50
TPSA110.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.36
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

(4-acetamidophenyl) 2-(4-chlorophenyl)acetate
CID 4938737
(4-acetamidophenyl) 2-(4-bromophenyl)acetate
CID 26188194
(4-acetamidophenyl) 2-(4-chlorophenoxy)acetate
CID 4938690
(4-acetamidophenyl) 2-cyclohexylacetate
CID 51152581
bis(4-methoxyphenyl) propanedioate
CID 12000137
(4-acetamidophenyl) 2-(4-cyanophenoxy)acetate
CID 26681952
(4-acetamidophenyl) 3-(4-chlorophenyl)propanoate
CID 51277629
(4-acetamidophenyl) 3-[4-(trifluoromethyl)phenyl]butanoate
CID 60584071
(4-methylphenyl) 2-[(4-acetamidobenzoyl)amino]acetate
CID 110670540
(4-acetamidophenyl) 2-(2-nitrooxyacetyl)oxyacetate
CID 46913138
(4-propanoylphenyl) 2-(4-acetamidophenyl)acetate
CID 27844669
(4-acetamidophenyl) N-phenylcarbamate
CID 58706000

Frequently Asked Questions

What is the IUPAC name of bis(4-acetamidophenyl) propanedioate?
The IUPAC name of bis(4-acetamidophenyl) propanedioate (CID 58435595) is bis(4-acetamidophenyl) propanedioate.
What is the SMILES notation for bis(4-acetamidophenyl) propanedioate?
The canonical SMILES for bis(4-acetamidophenyl) propanedioate is CC(=O)Nc1ccc(OC(=O)CC(=O)Oc2ccc(NC(C)=O)cc2)cc1.
What is the InChIKey of bis(4-acetamidophenyl) propanedioate?
The InChIKey is ZZCSYQSMCZOBPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O6/c1-12(22)20-14-3-7-16(8-4-14)26-18(24)11-19(25)27-17-9-5-15(6-10-17)21-13(2)23/h3-10H,11H2,1-2H3,(H,20,22)(H,21,23).
What are the key properties of bis(4-acetamidophenyl) propanedioate?
bis(4-acetamidophenyl) propanedioate has a molecular weight of 370.36 g/mol, XLogP of 2.50, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-acetamidophenyl) propanedioate is sourced from PubChem (CID 58435595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).