N-[2-oxo-2-(4-pyrrolidin-1-ylanilino)ethyl]butanamide

C16H23N3O2 — CID 113000164

IUPACN-[2-oxo-2-(4-pyrrolidin-1-ylanilino)ethyl]butanamide
SMILESCCCC(=O)NCC(=O)Nc1ccc(N2CCCC2)cc1
InChIInChI=1S/C16H23N3O2/c1-2-5-15(20)17-12-16(21)18-13-6-8-14(9-7-13)19-10-3-4-11-19/h6-9H,2-5,10-12H2,1H3,(H,17,20)(H,18,21)
InChIKeyXTGSFASYTFDNQM-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.14
Rot. Bonds6

About N-[2-oxo-2-(4-pyrrolidin-1-ylanilino)ethyl]butanamide

N-[2-oxo-2-(4-pyrrolidin-1-ylanilino)ethyl]butanamide (PubChem CID 113000164) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is N-[2-oxo-2-(4-pyrrolidin-1-ylanilino)ethyl]butanamide.

Molecular Properties

Compound NameN-[2-oxo-2-(4-pyrrolidin-1-ylanilino)ethyl]butanamide
PubChem CID113000164
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC NameN-[2-oxo-2-(4-pyrrolidin-1-ylanilino)ethyl]butanamide
SMILESCCCC(=O)NCC(=O)Nc1ccc(N2CCCC2)cc1
InChIInChI=1S/C16H23N3O2/c1-2-5-15(20)17-12-16(21)18-13-6-8-14(9-7-13)19-10-3-4-11-19/h6-9H,2-5,10-12H2,1H3,(H,17,20)(H,18,21)
InChIKeyXTGSFASYTFDNQM-UHFFFAOYSA-N
XLogP2.14
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze N-[2-oxo-2-(4-pyrrolidin-1-ylanilino)ethyl]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

N-[4-(azepan-1-yl)phenyl]butanamide
CID 60593025
N-[2-[4-(4-methylpiperazin-1-yl)anilino]-2-oxoethyl]pentanamide
CID 110601093
3-chloro-N-(4-pyrrolidin-1-ylphenyl)propanamide
CID 43701399
N-[2-oxo-2-(4-piperidin-1-ylanilino)ethyl]-3-phenoxypropanamide
CID 110601077
2-(butan-2-ylamino)-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 60661179
2-(4-chlorophenyl)-N-[2-oxo-2-(4-pyrrolidin-1-ylanilino)ethyl]acetamide
CID 113000176
N-[4-(4-oxopiperidin-1-yl)phenyl]butanamide
CID 22220544
2-(4-ethoxyphenyl)-N-[2-oxo-2-(4-piperidin-1-ylanilino)ethyl]acetamide
CID 110601075
N-ethyl-2-[(4-piperidin-1-ylphenyl)carbamoylamino]acetamide
CID 86986680
N-[4-(4-pyrrolidin-1-ylanilino)phenyl]propanamide
CID 112988748
N-(4-piperidin-1-ylphenyl)-2-(prop-2-ynylamino)acetamide
CID 78908637
3-(butylamino)-N-(4-pyrrolidin-1-ylphenyl)propanamide
CID 109012504

Frequently Asked Questions

What is the IUPAC name of N-[2-oxo-2-(4-pyrrolidin-1-ylanilino)ethyl]butanamide?
The IUPAC name of N-[2-oxo-2-(4-pyrrolidin-1-ylanilino)ethyl]butanamide (CID 113000164) is N-[2-oxo-2-(4-pyrrolidin-1-ylanilino)ethyl]butanamide.
What is the SMILES notation for N-[2-oxo-2-(4-pyrrolidin-1-ylanilino)ethyl]butanamide?
The canonical SMILES for N-[2-oxo-2-(4-pyrrolidin-1-ylanilino)ethyl]butanamide is CCCC(=O)NCC(=O)Nc1ccc(N2CCCC2)cc1.
What is the InChIKey of N-[2-oxo-2-(4-pyrrolidin-1-ylanilino)ethyl]butanamide?
The InChIKey is XTGSFASYTFDNQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-2-5-15(20)17-12-16(21)18-13-6-8-14(9-7-13)19-10-3-4-11-19/h6-9H,2-5,10-12H2,1H3,(H,17,20)(H,18,21).
What are the key properties of N-[2-oxo-2-(4-pyrrolidin-1-ylanilino)ethyl]butanamide?
N-[2-oxo-2-(4-pyrrolidin-1-ylanilino)ethyl]butanamide has a molecular weight of 289.38 g/mol, XLogP of 2.14, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-oxo-2-(4-pyrrolidin-1-ylanilino)ethyl]butanamide is sourced from PubChem (CID 113000164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).