N-[2-[4-[2-(4-methylanilino)-2-oxoethoxy]phenyl]ethyl]pyrrolidine-3-carboxamide;hydrochloride

C22H28ClN3O3 — CID 119751120

IUPACN-[2-[4-[2-(4-methylanilino)-2-oxoethoxy]phenyl]ethyl]pyrrolidine-3-carboxamide;hydrochloride
SMILESCc1ccc(NC(=O)COc2ccc(CCNC(=O)C3CCNC3)cc2)cc1.Cl
InChIInChI=1S/C22H27N3O3.ClH/c1-16-2-6-19(7-3-16)25-21(26)15-28-20-8-4-17(5-9-20)10-13-24-22(27)18-11-12-23-14-18;/h2-9,18,23H,10-15H2,1H3,(H,24,27)(H,25,26);1H
InChIKeyJZDHKBOUMWWEPT-UHFFFAOYSA-N
MW417.94 g/mol
LogP2.70
Rot. Bonds8

About N-[2-[4-[2-(4-methylanilino)-2-oxoethoxy]phenyl]ethyl]pyrrolidine-3-carboxamide;hydrochloride

N-[2-[4-[2-(4-methylanilino)-2-oxoethoxy]phenyl]ethyl]pyrrolidine-3-carboxamide;hydrochloride (PubChem CID 119751120) has the molecular formula C22H28ClN3O3 and a molecular weight of 417.94 g/mol. Its IUPAC name is N-[2-[4-[2-(4-methylanilino)-2-oxoethoxy]phenyl]ethyl]pyrrolidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[2-[4-[2-(4-methylanilino)-2-oxoethoxy]phenyl]ethyl]pyrrolidine-3-carboxamide;hydrochloride
PubChem CID119751120
Molecular FormulaC22H28ClN3O3
Molecular Weight417.94 g/mol
Exact Mass417.18
IUPAC NameN-[2-[4-[2-(4-methylanilino)-2-oxoethoxy]phenyl]ethyl]pyrrolidine-3-carboxamide;hydrochloride
SMILESCc1ccc(NC(=O)COc2ccc(CCNC(=O)C3CCNC3)cc2)cc1.Cl
InChIInChI=1S/C22H27N3O3.ClH/c1-16-2-6-19(7-3-16)25-21(26)15-28-20-8-4-17(5-9-20)10-13-24-22(27)18-11-12-23-14-18;/h2-9,18,23H,10-15H2,1H3,(H,24,27)(H,25,26);1H
InChIKeyJZDHKBOUMWWEPT-UHFFFAOYSA-N
XLogP2.70
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.94
LogP ≤ 52.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[2-[4-[2-(4-methylanilino)-2-oxoethoxy]phenyl]ethyl]pyrrolidine-3-carboxamide;hydrochloride 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-[4-[2-(4-methylanilino)-2-oxoethoxy]phenyl]ethyl]piperidine-4-carboxamide
CID 119304611
4-hydroxy-N-[2-[4-[2-(4-methylanilino)-2-oxoethoxy]phenyl]ethyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119751106
N-[2-(4-butoxyphenyl)ethyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119714749
N-[[4-[4-(4-methylphenoxy)butanoylamino]phenyl]methyl]pyrrolidine-3-carboxamide
CID 119722645
N-[2-(4-methylphenyl)ethyl]piperidine-4-carboxamide
CID 82130753
2-(methylamino)-N-[2-[4-[2-(4-methylanilino)-2-oxoethoxy]phenyl]ethyl]acetamide
CID 119751105
N-[2-[4-[2-(3-methylanilino)-2-oxoethoxy]phenyl]ethyl]morpholine-2-carboxamide
CID 119750855
3-amino-N-[2-[4-[2-(3-methylanilino)-2-oxoethoxy]phenyl]ethyl]cyclopentane-1-carboxamide;hydrochloride
CID 119750840
N-[2-(4-acetamidophenyl)ethyl]piperidine-4-carboxamide
CID 119307270
N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]piperidine-3-carboxamide
CID 119283903
2-(4-methylphenoxy)-N-(4-methylphenyl)acetamide
CID 681889
N-[2-[1-methyl-5-[[2-(4-methylphenoxy)acetyl]amino]benzimidazol-2-yl]ethyl]cyclopropanecarboxamide
CID 46270460

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[2-(4-methylanilino)-2-oxoethoxy]phenyl]ethyl]pyrrolidine-3-carboxamide;hydrochloride?
The IUPAC name of N-[2-[4-[2-(4-methylanilino)-2-oxoethoxy]phenyl]ethyl]pyrrolidine-3-carboxamide;hydrochloride (CID 119751120) is N-[2-[4-[2-(4-methylanilino)-2-oxoethoxy]phenyl]ethyl]pyrrolidine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-[2-[4-[2-(4-methylanilino)-2-oxoethoxy]phenyl]ethyl]pyrrolidine-3-carboxamide;hydrochloride?
The canonical SMILES for N-[2-[4-[2-(4-methylanilino)-2-oxoethoxy]phenyl]ethyl]pyrrolidine-3-carboxamide;hydrochloride is Cc1ccc(NC(=O)COc2ccc(CCNC(=O)C3CCNC3)cc2)cc1.Cl.
What is the InChIKey of N-[2-[4-[2-(4-methylanilino)-2-oxoethoxy]phenyl]ethyl]pyrrolidine-3-carboxamide;hydrochloride?
The InChIKey is JZDHKBOUMWWEPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O3.ClH/c1-16-2-6-19(7-3-16)25-21(26)15-28-20-8-4-17(5-9-20)10-13-24-22(27)18-11-12-23-14-18;/h2-9,18,23H,10-15H2,1H3,(H,24,27)(H,25,26);1H.
What are the key properties of N-[2-[4-[2-(4-methylanilino)-2-oxoethoxy]phenyl]ethyl]pyrrolidine-3-carboxamide;hydrochloride?
N-[2-[4-[2-(4-methylanilino)-2-oxoethoxy]phenyl]ethyl]pyrrolidine-3-carboxamide;hydrochloride has a molecular weight of 417.94 g/mol, XLogP of 2.70, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[2-(4-methylanilino)-2-oxoethoxy]phenyl]ethyl]pyrrolidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119751120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).