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

C19H24N2O3 — CID 58473665

IUPACN-[4-(2,5-dioxopyrrol-1-yl)butyl]-4-(4-methylphenyl)butanamide
SMILESCc1ccc(CCCC(=O)NCCCCN2C(=O)C=CC2=O)cc1
InChIInChI=1S/C19H24N2O3/c1-15-7-9-16(10-8-15)5-4-6-17(22)20-13-2-3-14-21-18(23)11-12-19(21)24/h7-12H,2-6,13-14H2,1H3,(H,20,22)
InChIKeyOQFJWLBUWATSAL-UHFFFAOYSA-N
MW328.41 g/mol
LogP2.14
Rot. Bonds9

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

N-[4-(2,5-dioxopyrrol-1-yl)butyl]-4-(4-methylphenyl)butanamide (PubChem CID 58473665) has the molecular formula C19H24N2O3 and a molecular weight of 328.41 g/mol. Its IUPAC name is N-[4-(2,5-dioxopyrrol-1-yl)butyl]-4-(4-methylphenyl)butanamide.

Molecular Properties

Compound NameN-[4-(2,5-dioxopyrrol-1-yl)butyl]-4-(4-methylphenyl)butanamide
PubChem CID58473665
Molecular FormulaC19H24N2O3
Molecular Weight328.41 g/mol
Exact Mass328.18
IUPAC NameN-[4-(2,5-dioxopyrrol-1-yl)butyl]-4-(4-methylphenyl)butanamide
SMILESCc1ccc(CCCC(=O)NCCCCN2C(=O)C=CC2=O)cc1
InChIInChI=1S/C19H24N2O3/c1-15-7-9-16(10-8-15)5-4-6-17(22)20-13-2-3-14-21-18(23)11-12-19(21)24/h7-12H,2-6,13-14H2,1H3,(H,20,22)
InChIKeyOQFJWLBUWATSAL-UHFFFAOYSA-N
XLogP2.14
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[4-(2,5-dioxopyrrol-1-yl)butyl]-4-(4-methylphenyl)butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(2,5-dioxopyrrol-1-yl)-N-hexylbutanamide
CID 90175962
6-[6-[4-(2,5-dioxopyrrol-1-yl)butanoylamino]hexanoylamino]-N-ethylhexanamide
CID 18724284
6-[6-[4-(2,5-dioxopyrrol-1-yl)butanoylamino]hexanoylamino]-N-methylhexanamide
CID 20719178
N-[4-(2,5-dioxopyrrol-1-yl)butyl]-4-[4-[9-[3-(2-hydroxyethoxy)propyl]-9-[3-(2-methoxyethoxy)propyl]-7-methylfluoren-2-yl]phenyl]butanamide
CID 170057614
2-methyl-6-[4-(4-methylphenyl)butanoylamino]hexanoic acid
CID 162728509
2-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]ethylcarbamic acid
CID 121412813
6-(2,5-dioxopyrrol-1-yl)-N-(5-methylheptyl)hexanamide
CID 145076872
ethane;2-methyl-6-[4-(4-methylphenyl)butanoylamino]hexanoic acid
CID 162728508
ethene;N-[(Z)-4-ethenylhex-4-enyl]-4-(4-methylphenyl)butanamide
CID 144925838
N-(4-chlorobutyl)-3-(4-methylphenyl)propanamide
CID 106845485
N-[4-(4-methylphenyl)butyl]-3-methylsulfonylpropanamide
CID 110627922
7-[3-(4-methylphenyl)propanoylamino]heptanoic acid
CID 43359020

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,5-dioxopyrrol-1-yl)butyl]-4-(4-methylphenyl)butanamide?
The IUPAC name of N-[4-(2,5-dioxopyrrol-1-yl)butyl]-4-(4-methylphenyl)butanamide (CID 58473665) is N-[4-(2,5-dioxopyrrol-1-yl)butyl]-4-(4-methylphenyl)butanamide.
What is the SMILES notation for N-[4-(2,5-dioxopyrrol-1-yl)butyl]-4-(4-methylphenyl)butanamide?
The canonical SMILES for N-[4-(2,5-dioxopyrrol-1-yl)butyl]-4-(4-methylphenyl)butanamide is Cc1ccc(CCCC(=O)NCCCCN2C(=O)C=CC2=O)cc1.
What is the InChIKey of N-[4-(2,5-dioxopyrrol-1-yl)butyl]-4-(4-methylphenyl)butanamide?
The InChIKey is OQFJWLBUWATSAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3/c1-15-7-9-16(10-8-15)5-4-6-17(22)20-13-2-3-14-21-18(23)11-12-19(21)24/h7-12H,2-6,13-14H2,1H3,(H,20,22).
What are the key properties of N-[4-(2,5-dioxopyrrol-1-yl)butyl]-4-(4-methylphenyl)butanamide?
N-[4-(2,5-dioxopyrrol-1-yl)butyl]-4-(4-methylphenyl)butanamide has a molecular weight of 328.41 g/mol, XLogP of 2.14, 9 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)butyl]-4-(4-methylphenyl)butanamide is sourced from PubChem (CID 58473665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).