(2,5-dioxopyrrol-1-yl) 4-(propanoylamino)benzoate

C14H12N2O5 — CID 154982114

IUPAC(2,5-dioxopyrrol-1-yl) 4-(propanoylamino)benzoate
SMILESCCC(=O)Nc1ccc(C(=O)ON2C(=O)C=CC2=O)cc1
InChIInChI=1S/C14H12N2O5/c1-2-11(17)15-10-5-3-9(4-6-10)14(20)21-16-12(18)7-8-13(16)19/h3-8H,2H2,1H3,(H,15,17)
InChIKeyJMGWZWCNRJKSQB-UHFFFAOYSA-N
MW288.26 g/mol
LogP1.03
Rot. Bonds4

About (2,5-dioxopyrrol-1-yl) 4-(propanoylamino)benzoate

(2,5-dioxopyrrol-1-yl) 4-(propanoylamino)benzoate (PubChem CID 154982114) has the molecular formula C14H12N2O5 and a molecular weight of 288.26 g/mol. Its IUPAC name is (2,5-dioxopyrrol-1-yl) 4-(propanoylamino)benzoate.

Molecular Properties

Compound Name(2,5-dioxopyrrol-1-yl) 4-(propanoylamino)benzoate
PubChem CID154982114
Molecular FormulaC14H12N2O5
Molecular Weight288.26 g/mol
Exact Mass288.07
IUPAC Name(2,5-dioxopyrrol-1-yl) 4-(propanoylamino)benzoate
SMILESCCC(=O)Nc1ccc(C(=O)ON2C(=O)C=CC2=O)cc1
InChIInChI=1S/C14H12N2O5/c1-2-11(17)15-10-5-3-9(4-6-10)14(20)21-16-12(18)7-8-13(16)19/h3-8H,2H2,1H3,(H,15,17)
InChIKeyJMGWZWCNRJKSQB-UHFFFAOYSA-N
XLogP1.03
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.26
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

S-methyl 4-(propanoylamino)benzenecarbothioate
CID 142069454
[2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 4-methylbenzoate
CID 7971864
N-[4-(2-chloroacetyl)phenyl]propanamide
CID 3429836
N-[4-[[(4-bromobenzoyl)amino]carbamoyl]phenyl]propanamide
CID 54790881
4-(propanoylamino)-N,N-di(propan-2-yl)benzamide
CID 110178310
propyl 4-[[2-[4-(propanoylamino)anilino]acetyl]amino]benzoate
CID 54835426
ethane;N-[4-(2-methylpropanoyl)phenyl]propanamide
CID 172566048
N-[4-[(2-aminoacetyl)amino]phenyl]propanamide
CID 43708679
(2-naphthalen-1-yl-2-oxoethyl) 4-(propanoylamino)benzoate
CID 1218309
N-[4-(2-aminopropanoyl)phenyl]propanamide
CID 82341614
4-(propanoylamino)-N-[2-(propanoylamino)ethyl]benzamide
CID 121062260
N-(cyclopentylideneamino)-4-(propanoylamino)benzamide
CID 910224

Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrol-1-yl) 4-(propanoylamino)benzoate?
The IUPAC name of (2,5-dioxopyrrol-1-yl) 4-(propanoylamino)benzoate (CID 154982114) is (2,5-dioxopyrrol-1-yl) 4-(propanoylamino)benzoate.
What is the SMILES notation for (2,5-dioxopyrrol-1-yl) 4-(propanoylamino)benzoate?
The canonical SMILES for (2,5-dioxopyrrol-1-yl) 4-(propanoylamino)benzoate is CCC(=O)Nc1ccc(C(=O)ON2C(=O)C=CC2=O)cc1.
What is the InChIKey of (2,5-dioxopyrrol-1-yl) 4-(propanoylamino)benzoate?
The InChIKey is JMGWZWCNRJKSQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O5/c1-2-11(17)15-10-5-3-9(4-6-10)14(20)21-16-12(18)7-8-13(16)19/h3-8H,2H2,1H3,(H,15,17).
What are the key properties of (2,5-dioxopyrrol-1-yl) 4-(propanoylamino)benzoate?
(2,5-dioxopyrrol-1-yl) 4-(propanoylamino)benzoate has a molecular weight of 288.26 g/mol, XLogP of 1.03, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dioxopyrrol-1-yl) 4-(propanoylamino)benzoate is sourced from PubChem (CID 154982114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).