N-[1-[4-[2-(4-ethoxyphenyl)ethynyl]phenyl]propan-2-yl]pyrrolidine-3-carboxamide

C24H28N2O2 — CID 66635147

IUPACN-[1-[4-[2-(4-ethoxyphenyl)ethynyl]phenyl]propan-2-yl]pyrrolidine-3-carboxamide
SMILESCCOc1ccc(C#Cc2ccc(CC(C)NC(=O)C3CCNC3)cc2)cc1
InChIInChI=1S/C24H28N2O2/c1-3-28-23-12-10-20(11-13-23)5-4-19-6-8-21(9-7-19)16-18(2)26-24(27)22-14-15-25-17-22/h6-13,18,22,25H,3,14-17H2,1-2H3,(H,26,27)
InChIKeyBECYURGHQXMVCO-UHFFFAOYSA-N
MW376.50 g/mol
LogP3.14
Rot. Bonds6

About N-[1-[4-[2-(4-ethoxyphenyl)ethynyl]phenyl]propan-2-yl]pyrrolidine-3-carboxamide

N-[1-[4-[2-(4-ethoxyphenyl)ethynyl]phenyl]propan-2-yl]pyrrolidine-3-carboxamide (PubChem CID 66635147) has the molecular formula C24H28N2O2 and a molecular weight of 376.50 g/mol. Its IUPAC name is N-[1-[4-[2-(4-ethoxyphenyl)ethynyl]phenyl]propan-2-yl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[1-[4-[2-(4-ethoxyphenyl)ethynyl]phenyl]propan-2-yl]pyrrolidine-3-carboxamide
PubChem CID66635147
Molecular FormulaC24H28N2O2
Molecular Weight376.50 g/mol
Exact Mass376.22
IUPAC NameN-[1-[4-[2-(4-ethoxyphenyl)ethynyl]phenyl]propan-2-yl]pyrrolidine-3-carboxamide
SMILESCCOc1ccc(C#Cc2ccc(CC(C)NC(=O)C3CCNC3)cc2)cc1
InChIInChI=1S/C24H28N2O2/c1-3-28-23-12-10-20(11-13-23)5-4-19-6-8-21(9-7-19)16-18(2)26-24(27)22-14-15-25-17-22/h6-13,18,22,25H,3,14-17H2,1-2H3,(H,26,27)
InChIKeyBECYURGHQXMVCO-UHFFFAOYSA-N
XLogP3.14
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[1-[4-[2-(4-ethoxyphenyl)ethynyl]phenyl]propan-2-yl]pyrrolidine-3-carboxamide 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-[1-(4-bromophenyl)propan-2-yl]pyrrolidine-3-carboxamide;hydrochloride
CID 119734902
methyl N-[1-[4-[2-(4-ethoxyphenyl)ethynyl]phenyl]propan-2-yl]carbamate
CID 66634887
N-[1-[4-[2-(4-propan-2-ylphenyl)ethynyl]phenyl]propan-2-yl]cyclopropanecarboxamide
CID 90429490
N-[1-(4-fluorophenyl)propan-2-yl]piperidine-4-carboxamide
CID 63010034
N-[1-(3-chlorophenyl)propan-2-yl]pyrrolidine-3-carboxamide
CID 63006245
N-(5-methylhexan-2-yl)pyrrolidine-3-carboxamide
CID 63005264
(3S)-N-butan-2-ylpyrrolidine-3-carboxamide;hydrochloride
CID 130617096
N-[1-[4-[2-(2-phenoxypyrimidin-5-yl)ethynyl]phenyl]propan-2-yl]cyclopropanecarboxamide
CID 66635218
N-[(4-ethoxyphenyl)methyl]piperidine-4-carboxamide
CID 94693526
N-[1-(2-bromophenyl)propan-2-yl]pyrrolidine-3-carboxamide;hydrochloride
CID 119814306
N-[2-(4-butoxyphenyl)ethyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119714749
N-[1-(3-ethoxyphenyl)ethyl]piperidine-3-carboxamide
CID 119301559

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-[2-(4-ethoxyphenyl)ethynyl]phenyl]propan-2-yl]pyrrolidine-3-carboxamide?
The IUPAC name of N-[1-[4-[2-(4-ethoxyphenyl)ethynyl]phenyl]propan-2-yl]pyrrolidine-3-carboxamide (CID 66635147) is N-[1-[4-[2-(4-ethoxyphenyl)ethynyl]phenyl]propan-2-yl]pyrrolidine-3-carboxamide.
What is the SMILES notation for N-[1-[4-[2-(4-ethoxyphenyl)ethynyl]phenyl]propan-2-yl]pyrrolidine-3-carboxamide?
The canonical SMILES for N-[1-[4-[2-(4-ethoxyphenyl)ethynyl]phenyl]propan-2-yl]pyrrolidine-3-carboxamide is CCOc1ccc(C#Cc2ccc(CC(C)NC(=O)C3CCNC3)cc2)cc1.
What is the InChIKey of N-[1-[4-[2-(4-ethoxyphenyl)ethynyl]phenyl]propan-2-yl]pyrrolidine-3-carboxamide?
The InChIKey is BECYURGHQXMVCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O2/c1-3-28-23-12-10-20(11-13-23)5-4-19-6-8-21(9-7-19)16-18(2)26-24(27)22-14-15-25-17-22/h6-13,18,22,25H,3,14-17H2,1-2H3,(H,26,27).
What are the key properties of N-[1-[4-[2-(4-ethoxyphenyl)ethynyl]phenyl]propan-2-yl]pyrrolidine-3-carboxamide?
N-[1-[4-[2-(4-ethoxyphenyl)ethynyl]phenyl]propan-2-yl]pyrrolidine-3-carboxamide has a molecular weight of 376.50 g/mol, XLogP of 3.14, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-[2-(4-ethoxyphenyl)ethynyl]phenyl]propan-2-yl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 66635147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).