N-[2-(N-acetyl-4-pyrrolidin-1-ylanilino)ethyl]-2-phenoxyacetamide

C22H27N3O3 — CID 113062329

IUPACN-[2-(N-acetyl-4-pyrrolidin-1-ylanilino)ethyl]-2-phenoxyacetamide
SMILESCC(=O)N(CCNC(=O)COc1ccccc1)c1ccc(N2CCCC2)cc1
InChIInChI=1S/C22H27N3O3/c1-18(26)25(20-11-9-19(10-12-20)24-14-5-6-15-24)16-13-23-22(27)17-28-21-7-3-2-4-8-21/h2-4,7-12H,5-6,13-17H2,1H3,(H,23,27)
InChIKeyWPJWOFAQJDGOQL-UHFFFAOYSA-N
MW381.48 g/mol
LogP2.83
Rot. Bonds8

About N-[2-(N-acetyl-4-pyrrolidin-1-ylanilino)ethyl]-2-phenoxyacetamide

N-[2-(N-acetyl-4-pyrrolidin-1-ylanilino)ethyl]-2-phenoxyacetamide (PubChem CID 113062329) has the molecular formula C22H27N3O3 and a molecular weight of 381.48 g/mol. Its IUPAC name is N-[2-(N-acetyl-4-pyrrolidin-1-ylanilino)ethyl]-2-phenoxyacetamide.

Molecular Properties

Compound NameN-[2-(N-acetyl-4-pyrrolidin-1-ylanilino)ethyl]-2-phenoxyacetamide
PubChem CID113062329
Molecular FormulaC22H27N3O3
Molecular Weight381.48 g/mol
Exact Mass381.21
IUPAC NameN-[2-(N-acetyl-4-pyrrolidin-1-ylanilino)ethyl]-2-phenoxyacetamide
SMILESCC(=O)N(CCNC(=O)COc1ccccc1)c1ccc(N2CCCC2)cc1
InChIInChI=1S/C22H27N3O3/c1-18(26)25(20-11-9-19(10-12-20)24-14-5-6-15-24)16-13-23-22(27)17-28-21-7-3-2-4-8-21/h2-4,7-12H,5-6,13-17H2,1H3,(H,23,27)
InChIKeyWPJWOFAQJDGOQL-UHFFFAOYSA-N
XLogP2.83
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[2-(N-acetyl-4-pyrrolidin-1-ylanilino)ethyl]-2-phenoxyacetamide 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-[2-(N-acetyl-4-piperidin-1-ylanilino)ethyl]-2-phenoxyacetamide
CID 113062387
N-[2-(N-acetyl-4-pyrrolidin-1-ylanilino)ethyl]propanamide
CID 113062300
N-[2-(N-acetyl-4-tert-butylanilino)ethyl]-2-phenoxyacetamide
CID 113059114
N-[2-(N-acetyl-4-chloroanilino)ethyl]-2-(4-chlorophenoxy)acetamide
CID 113059644
N-[2-(N-acetyl-4-piperidin-1-ylanilino)ethyl]-3-methoxybenzamide
CID 113062380
N-[2-(N-acetyl-4-piperidin-1-ylanilino)ethyl]-2-(4-fluorophenyl)acetamide
CID 113062385
3-(N-acetyl-4-pyrrolidin-1-ylanilino)propanoic acid
CID 82320452
N-[2-(N-acetyl-3-fluoroanilino)ethyl]-2-phenoxyacetamide
CID 113062635
3-(N-acetyl-4-piperidin-1-ylanilino)-N-benzylpropanamide
CID 113132055
N-[2-(N-acetyl-3-chloro-4-methoxyanilino)ethyl]-2-phenoxyacetamide
CID 113060232
2-(N-acetyl-4-pyrrolidin-1-ylanilino)-N-phenylacetamide
CID 113177016
methyl 2-[acetyl-[2-[(2-phenoxyacetyl)amino]ethyl]amino]benzoate
CID 113061902

Frequently Asked Questions

What is the IUPAC name of N-[2-(N-acetyl-4-pyrrolidin-1-ylanilino)ethyl]-2-phenoxyacetamide?
The IUPAC name of N-[2-(N-acetyl-4-pyrrolidin-1-ylanilino)ethyl]-2-phenoxyacetamide (CID 113062329) is N-[2-(N-acetyl-4-pyrrolidin-1-ylanilino)ethyl]-2-phenoxyacetamide.
What is the SMILES notation for N-[2-(N-acetyl-4-pyrrolidin-1-ylanilino)ethyl]-2-phenoxyacetamide?
The canonical SMILES for N-[2-(N-acetyl-4-pyrrolidin-1-ylanilino)ethyl]-2-phenoxyacetamide is CC(=O)N(CCNC(=O)COc1ccccc1)c1ccc(N2CCCC2)cc1.
What is the InChIKey of N-[2-(N-acetyl-4-pyrrolidin-1-ylanilino)ethyl]-2-phenoxyacetamide?
The InChIKey is WPJWOFAQJDGOQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O3/c1-18(26)25(20-11-9-19(10-12-20)24-14-5-6-15-24)16-13-23-22(27)17-28-21-7-3-2-4-8-21/h2-4,7-12H,5-6,13-17H2,1H3,(H,23,27).
What are the key properties of N-[2-(N-acetyl-4-pyrrolidin-1-ylanilino)ethyl]-2-phenoxyacetamide?
N-[2-(N-acetyl-4-pyrrolidin-1-ylanilino)ethyl]-2-phenoxyacetamide has a molecular weight of 381.48 g/mol, XLogP of 2.83, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(N-acetyl-4-pyrrolidin-1-ylanilino)ethyl]-2-phenoxyacetamide is sourced from PubChem (CID 113062329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).