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

C22H28ClN3O4 — CID 119751106

IUPAC4-hydroxy-N-[2-[4-[2-(4-methylanilino)-2-oxoethoxy]phenyl]ethyl]pyrrolidine-2-carboxamide;hydrochloride
SMILESCc1ccc(NC(=O)COc2ccc(CCNC(=O)C3CC(O)CN3)cc2)cc1.Cl
InChIInChI=1S/C22H27N3O4.ClH/c1-15-2-6-17(7-3-15)25-21(27)14-29-19-8-4-16(5-9-19)10-11-23-22(28)20-12-18(26)13-24-20;/h2-9,18,20,24,26H,10-14H2,1H3,(H,23,28)(H,25,27);1H
InChIKeyCZSLYGZGKVSXGR-UHFFFAOYSA-N
MW433.94 g/mol
LogP1.82
Rot. Bonds8

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

4-hydroxy-N-[2-[4-[2-(4-methylanilino)-2-oxoethoxy]phenyl]ethyl]pyrrolidine-2-carboxamide;hydrochloride (PubChem CID 119751106) has the molecular formula C22H28ClN3O4 and a molecular weight of 433.94 g/mol. Its IUPAC name is 4-hydroxy-N-[2-[4-[2-(4-methylanilino)-2-oxoethoxy]phenyl]ethyl]pyrrolidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name4-hydroxy-N-[2-[4-[2-(4-methylanilino)-2-oxoethoxy]phenyl]ethyl]pyrrolidine-2-carboxamide;hydrochloride
PubChem CID119751106
Molecular FormulaC22H28ClN3O4
Molecular Weight433.94 g/mol
Exact Mass433.18
IUPAC Name4-hydroxy-N-[2-[4-[2-(4-methylanilino)-2-oxoethoxy]phenyl]ethyl]pyrrolidine-2-carboxamide;hydrochloride
SMILESCc1ccc(NC(=O)COc2ccc(CCNC(=O)C3CC(O)CN3)cc2)cc1.Cl
InChIInChI=1S/C22H27N3O4.ClH/c1-15-2-6-17(7-3-15)25-21(27)14-29-19-8-4-16(5-9-19)10-11-23-22(28)20-12-18(26)13-24-20;/h2-9,18,20,24,26H,10-14H2,1H3,(H,23,28)(H,25,27);1H
InChIKeyCZSLYGZGKVSXGR-UHFFFAOYSA-N
XLogP1.82
TPSA99.69 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.94
LogP ≤ 51.82
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[4-[2-(4-methylanilino)-2-oxoethoxy]phenyl]ethyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119751120
N-[2-[4-[2-(4-methylanilino)-2-oxoethoxy]phenyl]ethyl]piperidine-4-carboxamide
CID 119304611
(2R,4S)-4-hydroxy-N-[2-(4-methylphenoxy)ethyl]pyrrolidine-2-carboxamide
CID 125134711
4-hydroxy-N-[2-[4-(2-methylpropoxy)phenyl]ethyl]pyrrolidine-2-carboxamide
CID 119778712
2-(methylamino)-N-[2-[4-[2-(4-methylanilino)-2-oxoethoxy]phenyl]ethyl]acetamide
CID 119751105
2-(4-methylphenoxy)-N-(4-methylphenyl)acetamide
CID 681889
N-[4-[2-[3-(4-methylphenyl)propylamino]-2-oxoethoxy]phenyl]propanamide
CID 50979662
(2R,4R)-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-hydroxypyrrolidine-2-carboxamide
CID 28943713
2-(4-methylphenoxy)-N-[4-[(4-methylphenyl)methylamino]phenyl]acetamide
CID 112982175
3-amino-N-[2-[4-[2-(3-methylanilino)-2-oxoethoxy]phenyl]ethyl]cyclopentane-1-carboxamide;hydrochloride
CID 119750840
2-N-[2-(4-methoxyphenyl)ethyl]-1-N-(4-methylphenyl)cyclopropane-1,2-dicarboxamide
CID 109137993
N-[2-(4-chlorophenyl)ethyl]-2-(4-methylphenoxy)acetamide
CID 2632440

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-[2-[4-[2-(4-methylanilino)-2-oxoethoxy]phenyl]ethyl]pyrrolidine-2-carboxamide;hydrochloride?
The IUPAC name of 4-hydroxy-N-[2-[4-[2-(4-methylanilino)-2-oxoethoxy]phenyl]ethyl]pyrrolidine-2-carboxamide;hydrochloride (CID 119751106) is 4-hydroxy-N-[2-[4-[2-(4-methylanilino)-2-oxoethoxy]phenyl]ethyl]pyrrolidine-2-carboxamide;hydrochloride.
What is the SMILES notation for 4-hydroxy-N-[2-[4-[2-(4-methylanilino)-2-oxoethoxy]phenyl]ethyl]pyrrolidine-2-carboxamide;hydrochloride?
The canonical SMILES for 4-hydroxy-N-[2-[4-[2-(4-methylanilino)-2-oxoethoxy]phenyl]ethyl]pyrrolidine-2-carboxamide;hydrochloride is Cc1ccc(NC(=O)COc2ccc(CCNC(=O)C3CC(O)CN3)cc2)cc1.Cl.
What is the InChIKey of 4-hydroxy-N-[2-[4-[2-(4-methylanilino)-2-oxoethoxy]phenyl]ethyl]pyrrolidine-2-carboxamide;hydrochloride?
The InChIKey is CZSLYGZGKVSXGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O4.ClH/c1-15-2-6-17(7-3-15)25-21(27)14-29-19-8-4-16(5-9-19)10-11-23-22(28)20-12-18(26)13-24-20;/h2-9,18,20,24,26H,10-14H2,1H3,(H,23,28)(H,25,27);1H.
What are the key properties of 4-hydroxy-N-[2-[4-[2-(4-methylanilino)-2-oxoethoxy]phenyl]ethyl]pyrrolidine-2-carboxamide;hydrochloride?
4-hydroxy-N-[2-[4-[2-(4-methylanilino)-2-oxoethoxy]phenyl]ethyl]pyrrolidine-2-carboxamide;hydrochloride has a molecular weight of 433.94 g/mol, XLogP of 1.82, 8 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-[2-[4-[2-(4-methylanilino)-2-oxoethoxy]phenyl]ethyl]pyrrolidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 119751106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).