N-[2-[4-(4-acetylphenoxy)butanoylamino]ethyl]-6-(2,5-dihydropyrrol-1-yl)hexanamide

C24H35N3O4 — CID 134496658

IUPACN-[2-[4-(4-acetylphenoxy)butanoylamino]ethyl]-6-(2,5-dihydropyrrol-1-yl)hexanamide
SMILESCC(=O)c1ccc(OCCCC(=O)NCCNC(=O)CCCCCN2CC=CC2)cc1
InChIInChI=1S/C24H35N3O4/c1-20(28)21-10-12-22(13-11-21)31-19-7-9-24(30)26-15-14-25-23(29)8-3-2-4-16-27-17-5-6-18-27/h5-6,10-13H,2-4,7-9,14-19H2,1H3,(H,25,29)(H,26,30)
InChIKeyZKLBWHUYTLYORJ-UHFFFAOYSA-N
MW429.56 g/mol
LogP2.71
Rot. Bonds15

About N-[2-[4-(4-acetylphenoxy)butanoylamino]ethyl]-6-(2,5-dihydropyrrol-1-yl)hexanamide

N-[2-[4-(4-acetylphenoxy)butanoylamino]ethyl]-6-(2,5-dihydropyrrol-1-yl)hexanamide (PubChem CID 134496658) has the molecular formula C24H35N3O4 and a molecular weight of 429.56 g/mol. Its IUPAC name is N-[2-[4-(4-acetylphenoxy)butanoylamino]ethyl]-6-(2,5-dihydropyrrol-1-yl)hexanamide.

Molecular Properties

Compound NameN-[2-[4-(4-acetylphenoxy)butanoylamino]ethyl]-6-(2,5-dihydropyrrol-1-yl)hexanamide
PubChem CID134496658
Molecular FormulaC24H35N3O4
Molecular Weight429.56 g/mol
Exact Mass429.26
IUPAC NameN-[2-[4-(4-acetylphenoxy)butanoylamino]ethyl]-6-(2,5-dihydropyrrol-1-yl)hexanamide
SMILESCC(=O)c1ccc(OCCCC(=O)NCCNC(=O)CCCCCN2CC=CC2)cc1
InChIInChI=1S/C24H35N3O4/c1-20(28)21-10-12-22(13-11-21)31-19-7-9-24(30)26-15-14-25-23(29)8-3-2-4-16-27-17-5-6-18-27/h5-6,10-13H,2-4,7-9,14-19H2,1H3,(H,25,29)(H,26,30)
InChIKeyZKLBWHUYTLYORJ-UHFFFAOYSA-N
XLogP2.71
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds15
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.56
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[2-[4-(4-acetylphenoxy)butanoylamino]ethyl]-6-(2,5-dihydropyrrol-1-yl)hexanamide 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-(4-acetylphenoxy)-N-(3-aminopropyl)butanamide
CID 119405386
3-[4-(4-acetylphenoxy)butanoylamino]-2-methylpropanoic acid
CID 119236840
4-(4-acetylphenoxy)-N-[(2R)-2-(ethylamino)propyl]butanamide
CID 120653275
4-(4-acetylphenoxy)-N-[(4-methylphenyl)methyl]butanamide
CID 2677349
methyl 4-[4-(4-acetylphenoxy)butanoylamino]benzoate
CID 7741287
N-[5-(azepan-1-yl)pentyl]-4-phenoxybutanamide
CID 110443436
4-(4-ethoxyphenoxy)-N-[2-(methylamino)ethyl]butanamide
CID 119500483
oxalic acid;1-[4-(4-pyrrolidin-1-ylbutoxy)phenyl]ethanone
CID 2950389
2-[1-[4-[4-[2-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]ethylamino]-4-oxobutoxy]phenyl]ethylideneamino]oxyethylcarbamic acid
CID 134496669
N-(4-acetylphenyl)-4-(4-ethoxyphenoxy)butanamide
CID 7732574
1-[4-[4-[(3S,5S)-3,5-dimethylpiperidin-1-yl]butoxy]phenyl]ethanone
CID 7380050
4-(4-acetylphenoxy)-N-[2-(1-phenylpyrazol-4-yl)ethyl]butanamide
CID 134000599

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(4-acetylphenoxy)butanoylamino]ethyl]-6-(2,5-dihydropyrrol-1-yl)hexanamide?
The IUPAC name of N-[2-[4-(4-acetylphenoxy)butanoylamino]ethyl]-6-(2,5-dihydropyrrol-1-yl)hexanamide (CID 134496658) is N-[2-[4-(4-acetylphenoxy)butanoylamino]ethyl]-6-(2,5-dihydropyrrol-1-yl)hexanamide.
What is the SMILES notation for N-[2-[4-(4-acetylphenoxy)butanoylamino]ethyl]-6-(2,5-dihydropyrrol-1-yl)hexanamide?
The canonical SMILES for N-[2-[4-(4-acetylphenoxy)butanoylamino]ethyl]-6-(2,5-dihydropyrrol-1-yl)hexanamide is CC(=O)c1ccc(OCCCC(=O)NCCNC(=O)CCCCCN2CC=CC2)cc1.
What is the InChIKey of N-[2-[4-(4-acetylphenoxy)butanoylamino]ethyl]-6-(2,5-dihydropyrrol-1-yl)hexanamide?
The InChIKey is ZKLBWHUYTLYORJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35N3O4/c1-20(28)21-10-12-22(13-11-21)31-19-7-9-24(30)26-15-14-25-23(29)8-3-2-4-16-27-17-5-6-18-27/h5-6,10-13H,2-4,7-9,14-19H2,1H3,(H,25,29)(H,26,30).
What are the key properties of N-[2-[4-(4-acetylphenoxy)butanoylamino]ethyl]-6-(2,5-dihydropyrrol-1-yl)hexanamide?
N-[2-[4-(4-acetylphenoxy)butanoylamino]ethyl]-6-(2,5-dihydropyrrol-1-yl)hexanamide has a molecular weight of 429.56 g/mol, XLogP of 2.71, 15 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(4-acetylphenoxy)butanoylamino]ethyl]-6-(2,5-dihydropyrrol-1-yl)hexanamide is sourced from PubChem (CID 134496658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).