N-[4-(2,5-dioxopyrrol-1-yl)phenyl]butanamide

C14H14N2O3 — CID 69325577

IUPACN-[4-(2,5-dioxopyrrol-1-yl)phenyl]butanamide
SMILESCCCC(=O)Nc1ccc(N2C(=O)C=CC2=O)cc1
InChIInChI=1S/C14H14N2O3/c1-2-3-12(17)15-10-4-6-11(7-5-10)16-13(18)8-9-14(16)19/h4-9H,2-3H2,1H3,(H,15,17)
InChIKeySPGWFNXRVVGFDJ-UHFFFAOYSA-N
MW258.28 g/mol
LogP1.85
Rot. Bonds4

About N-[4-(2,5-dioxopyrrol-1-yl)phenyl]butanamide

N-[4-(2,5-dioxopyrrol-1-yl)phenyl]butanamide (PubChem CID 69325577) has the molecular formula C14H14N2O3 and a molecular weight of 258.28 g/mol. Its IUPAC name is N-[4-(2,5-dioxopyrrol-1-yl)phenyl]butanamide.

Molecular Properties

Compound NameN-[4-(2,5-dioxopyrrol-1-yl)phenyl]butanamide
PubChem CID69325577
Molecular FormulaC14H14N2O3
Molecular Weight258.28 g/mol
Exact Mass258.10
IUPAC NameN-[4-(2,5-dioxopyrrol-1-yl)phenyl]butanamide
SMILESCCCC(=O)Nc1ccc(N2C(=O)C=CC2=O)cc1
InChIInChI=1S/C14H14N2O3/c1-2-3-12(17)15-10-4-6-11(7-5-10)16-13(18)8-9-14(16)19/h4-9H,2-3H2,1H3,(H,15,17)
InChIKeySPGWFNXRVVGFDJ-UHFFFAOYSA-N
XLogP1.85
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(butanoylamino)phenyl]butanamide;ethane
CID 166169399
N-[4-(4-oxopiperidin-1-yl)phenyl]butanamide
CID 22220544
N-[4-(azepan-1-yl)phenyl]butanamide
CID 60593025
N-[4-[2-[4-(2,5-dioxopyrrol-1-yl)phenyl]ethenyl]phenyl]acetamide
CID 140501091
methyl N-[4-(butanoylamino)phenyl]carbamate
CID 47251296
N-(4-formylphenyl)butanamide
CID 14471017
ethane;N-(4-methylphenyl)butanamide;molecular hydrogen
CID 155712374
1-[4-(methylamino)phenyl]pyrrole-2,5-dione
CID 86170375
N-[4-(1,2,2-tricyanoethenylamino)phenyl]butanamide
CID 168609139
N-[4-[[2-(diethylamino)acetyl]amino]phenyl]butanamide
CID 54813705
N-[4-[1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]sulfanylphenyl]butanamide
CID 22782076
N-[4-(1,1-dioxothiazinan-2-yl)phenyl]butanamide
CID 7424208

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,5-dioxopyrrol-1-yl)phenyl]butanamide?
The IUPAC name of N-[4-(2,5-dioxopyrrol-1-yl)phenyl]butanamide (CID 69325577) is N-[4-(2,5-dioxopyrrol-1-yl)phenyl]butanamide.
What is the SMILES notation for N-[4-(2,5-dioxopyrrol-1-yl)phenyl]butanamide?
The canonical SMILES for N-[4-(2,5-dioxopyrrol-1-yl)phenyl]butanamide is CCCC(=O)Nc1ccc(N2C(=O)C=CC2=O)cc1.
What is the InChIKey of N-[4-(2,5-dioxopyrrol-1-yl)phenyl]butanamide?
The InChIKey is SPGWFNXRVVGFDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3/c1-2-3-12(17)15-10-4-6-11(7-5-10)16-13(18)8-9-14(16)19/h4-9H,2-3H2,1H3,(H,15,17).
What are the key properties of N-[4-(2,5-dioxopyrrol-1-yl)phenyl]butanamide?
N-[4-(2,5-dioxopyrrol-1-yl)phenyl]butanamide has a molecular weight of 258.28 g/mol, XLogP of 1.85, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,5-dioxopyrrol-1-yl)phenyl]butanamide is sourced from PubChem (CID 69325577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).