2-[2-(4-chlorophenoxy)ethyl-methylamino]-N-[3-cyano-1-(3-methoxypropyl)-4,5-dimethylpyrrol-2-yl]acetamide

C22H29ClN4O3 — CID 24506836

IUPAC2-[2-(4-chlorophenoxy)ethyl-methylamino]-N-[3-cyano-1-(3-methoxypropyl)-4,5-dimethylpyrrol-2-yl]acetamide
SMILESCOCCCn1c(C)c(C)c(C#N)c1NC(=O)CN(C)CCOc1ccc(Cl)cc1
InChIInChI=1S/C22H29ClN4O3/c1-16-17(2)27(10-5-12-29-4)22(20(16)14-24)25-21(28)15-26(3)11-13-30-19-8-6-18(23)7-9-19/h6-9H,5,10-13,15H2,1-4H3,(H,25,28)
InChIKeyFGIDDMDETILRNH-UHFFFAOYSA-N
MW432.95 g/mol
LogP3.62
Rot. Bonds11

About 2-[2-(4-chlorophenoxy)ethyl-methylamino]-N-[3-cyano-1-(3-methoxypropyl)-4,5-dimethylpyrrol-2-yl]acetamide

2-[2-(4-chlorophenoxy)ethyl-methylamino]-N-[3-cyano-1-(3-methoxypropyl)-4,5-dimethylpyrrol-2-yl]acetamide (PubChem CID 24506836) has the molecular formula C22H29ClN4O3 and a molecular weight of 432.95 g/mol. Its IUPAC name is 2-[2-(4-chlorophenoxy)ethyl-methylamino]-N-[3-cyano-1-(3-methoxypropyl)-4,5-dimethylpyrrol-2-yl]acetamide.

Molecular Properties

Compound Name2-[2-(4-chlorophenoxy)ethyl-methylamino]-N-[3-cyano-1-(3-methoxypropyl)-4,5-dimethylpyrrol-2-yl]acetamide
PubChem CID24506836
Molecular FormulaC22H29ClN4O3
Molecular Weight432.95 g/mol
Exact Mass432.19
IUPAC Name2-[2-(4-chlorophenoxy)ethyl-methylamino]-N-[3-cyano-1-(3-methoxypropyl)-4,5-dimethylpyrrol-2-yl]acetamide
SMILESCOCCCn1c(C)c(C)c(C#N)c1NC(=O)CN(C)CCOc1ccc(Cl)cc1
InChIInChI=1S/C22H29ClN4O3/c1-16-17(2)27(10-5-12-29-4)22(20(16)14-24)25-21(28)15-26(3)11-13-30-19-8-6-18(23)7-9-19/h6-9H,5,10-13,15H2,1-4H3,(H,25,28)
InChIKeyFGIDDMDETILRNH-UHFFFAOYSA-N
XLogP3.62
TPSA79.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.95
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-[2-(4-chlorophenoxy)ethyl-methylamino]-N-[3-cyano-1-(3-methoxypropyl)-4,5-dimethylpyrrol-2-yl]acetamide 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-[3-cyano-4,5-dimethyl-1-(oxolan-2-ylmethyl)pyrrol-2-yl]-2-[2-(4-fluorophenoxy)ethyl-methylamino]acetamide
CID 24507615
N-[3-cyano-1-(3-methoxypropyl)-4,5-dimethylpyrrol-2-yl]-2-[cyclopropyl-[(4-ethylphenyl)methyl]amino]acetamide
CID 52675487
methyl 4-[[2-[2-(4-chlorophenoxy)ethyl-methylamino]acetyl]amino]benzoate
CID 27250238
[2-[[3-cyano-1-(3-methoxypropyl)-4,5-dimethylpyrrol-2-yl]amino]-2-oxoethyl] 2,5-dimethylthiophene-3-carboxylate
CID 9380793
N-(1-benzyl-3-cyano-4,5-dimethylpyrrol-2-yl)-2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]acetamide
CID 26303857
2-(4-benzylpiperidin-1-yl)-N-[3-cyano-1-(3-methoxypropyl)-4,5-dimethylpyrrol-2-yl]acetamide
CID 9430524
2-[2-(4-chlorophenoxy)ethyl-methylamino]-N-(2-propan-2-ylpyrazol-3-yl)acetamide
CID 18166272
N-[3-cyano-1-(3-methoxypropyl)-4,5-dimethylpyrrol-2-yl]-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]acetamide
CID 9432508
2-[2-(4-chlorophenoxy)ethyl-methylamino]-N-(4-nitrophenyl)acetamide
CID 4824875
methyl 2-[[2-[2-(4-chlorophenoxy)ethyl-methylamino]acetyl]amino]benzoate
CID 9252455
2-[2-(4-chlorophenoxy)ethyl-methylamino]-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 9252437
2-[2-(4-chlorophenoxy)ethyl-methylamino]-N-(2,5-difluorophenyl)acetamide
CID 4824878

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-chlorophenoxy)ethyl-methylamino]-N-[3-cyano-1-(3-methoxypropyl)-4,5-dimethylpyrrol-2-yl]acetamide?
The IUPAC name of 2-[2-(4-chlorophenoxy)ethyl-methylamino]-N-[3-cyano-1-(3-methoxypropyl)-4,5-dimethylpyrrol-2-yl]acetamide (CID 24506836) is 2-[2-(4-chlorophenoxy)ethyl-methylamino]-N-[3-cyano-1-(3-methoxypropyl)-4,5-dimethylpyrrol-2-yl]acetamide.
What is the SMILES notation for 2-[2-(4-chlorophenoxy)ethyl-methylamino]-N-[3-cyano-1-(3-methoxypropyl)-4,5-dimethylpyrrol-2-yl]acetamide?
The canonical SMILES for 2-[2-(4-chlorophenoxy)ethyl-methylamino]-N-[3-cyano-1-(3-methoxypropyl)-4,5-dimethylpyrrol-2-yl]acetamide is COCCCn1c(C)c(C)c(C#N)c1NC(=O)CN(C)CCOc1ccc(Cl)cc1.
What is the InChIKey of 2-[2-(4-chlorophenoxy)ethyl-methylamino]-N-[3-cyano-1-(3-methoxypropyl)-4,5-dimethylpyrrol-2-yl]acetamide?
The InChIKey is FGIDDMDETILRNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29ClN4O3/c1-16-17(2)27(10-5-12-29-4)22(20(16)14-24)25-21(28)15-26(3)11-13-30-19-8-6-18(23)7-9-19/h6-9H,5,10-13,15H2,1-4H3,(H,25,28).
What are the key properties of 2-[2-(4-chlorophenoxy)ethyl-methylamino]-N-[3-cyano-1-(3-methoxypropyl)-4,5-dimethylpyrrol-2-yl]acetamide?
2-[2-(4-chlorophenoxy)ethyl-methylamino]-N-[3-cyano-1-(3-methoxypropyl)-4,5-dimethylpyrrol-2-yl]acetamide has a molecular weight of 432.95 g/mol, XLogP of 3.62, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-chlorophenoxy)ethyl-methylamino]-N-[3-cyano-1-(3-methoxypropyl)-4,5-dimethylpyrrol-2-yl]acetamide is sourced from PubChem (CID 24506836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).