N-[4-[2-(diethylamino)-2-oxoethyl]phenyl]pyrrolidine-2-carboxamide;hydrochloride

C17H26ClN3O2 — CID 119283612

IUPACN-[4-[2-(diethylamino)-2-oxoethyl]phenyl]pyrrolidine-2-carboxamide;hydrochloride
SMILESCCN(CC)C(=O)Cc1ccc(NC(=O)C2CCCN2)cc1.Cl
InChIInChI=1S/C17H25N3O2.ClH/c1-3-20(4-2)16(21)12-13-7-9-14(10-8-13)19-17(22)15-6-5-11-18-15;/h7-10,15,18H,3-6,11-12H2,1-2H3,(H,19,22);1H
InChIKeyAENSHWMVYWOXPH-UHFFFAOYSA-N
MW339.87 g/mol
LogP2.21
Rot. Bonds6

About N-[4-[2-(diethylamino)-2-oxoethyl]phenyl]pyrrolidine-2-carboxamide;hydrochloride

N-[4-[2-(diethylamino)-2-oxoethyl]phenyl]pyrrolidine-2-carboxamide;hydrochloride (PubChem CID 119283612) has the molecular formula C17H26ClN3O2 and a molecular weight of 339.87 g/mol. Its IUPAC name is N-[4-[2-(diethylamino)-2-oxoethyl]phenyl]pyrrolidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[4-[2-(diethylamino)-2-oxoethyl]phenyl]pyrrolidine-2-carboxamide;hydrochloride
PubChem CID119283612
Molecular FormulaC17H26ClN3O2
Molecular Weight339.87 g/mol
Exact Mass339.17
IUPAC NameN-[4-[2-(diethylamino)-2-oxoethyl]phenyl]pyrrolidine-2-carboxamide;hydrochloride
SMILESCCN(CC)C(=O)Cc1ccc(NC(=O)C2CCCN2)cc1.Cl
InChIInChI=1S/C17H25N3O2.ClH/c1-3-20(4-2)16(21)12-13-7-9-14(10-8-13)19-17(22)15-6-5-11-18-15;/h7-10,15,18H,3-6,11-12H2,1-2H3,(H,19,22);1H
InChIKeyAENSHWMVYWOXPH-UHFFFAOYSA-N
XLogP2.21
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.87
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[2-(N-methylanilino)-2-oxoethyl]phenyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119298239
(2R)-N-[4-[2-(ethylamino)-2-oxoethyl]phenyl]pyrrolidine-2-carboxamide
CID 103795041
N-[4-[2-(N-ethylanilino)-2-oxoethyl]phenyl]piperidine-2-carboxamide
CID 119286338
(2S)-N-(4-butylphenyl)pyrrolidine-2-carboxamide
CID 61156078
N-[4-(ethoxymethyl)phenyl]pyrrolidine-2-carboxamide
CID 71987055
(2R)-N-(4-methylphenyl)piperidine-2-carboxamide;hydrochloride
CID 119670939
(2R)-N-[4-(aminomethyl)phenyl]pyrrolidine-2-carboxamide
CID 143190903
N-[4-(acetamidomethyl)phenyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119321333
(2S)-N-(4-acetamidophenyl)pyrrolidine-2-carboxamide
CID 22691413
ethyl N-[4-[[(2S)-pyrrolidine-2-carbonyl]amino]phenyl]carbamate
CID 61179472
N-[4-(ethylsulfonylamino)phenyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119282547
(2S)-N-[4-[ethyl(2-hydroxyethyl)amino]phenyl]pyrrolidine-2-carboxamide
CID 61178516

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(diethylamino)-2-oxoethyl]phenyl]pyrrolidine-2-carboxamide;hydrochloride?
The IUPAC name of N-[4-[2-(diethylamino)-2-oxoethyl]phenyl]pyrrolidine-2-carboxamide;hydrochloride (CID 119283612) is N-[4-[2-(diethylamino)-2-oxoethyl]phenyl]pyrrolidine-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[4-[2-(diethylamino)-2-oxoethyl]phenyl]pyrrolidine-2-carboxamide;hydrochloride?
The canonical SMILES for N-[4-[2-(diethylamino)-2-oxoethyl]phenyl]pyrrolidine-2-carboxamide;hydrochloride is CCN(CC)C(=O)Cc1ccc(NC(=O)C2CCCN2)cc1.Cl.
What is the InChIKey of N-[4-[2-(diethylamino)-2-oxoethyl]phenyl]pyrrolidine-2-carboxamide;hydrochloride?
The InChIKey is AENSHWMVYWOXPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2.ClH/c1-3-20(4-2)16(21)12-13-7-9-14(10-8-13)19-17(22)15-6-5-11-18-15;/h7-10,15,18H,3-6,11-12H2,1-2H3,(H,19,22);1H.
What are the key properties of N-[4-[2-(diethylamino)-2-oxoethyl]phenyl]pyrrolidine-2-carboxamide;hydrochloride?
N-[4-[2-(diethylamino)-2-oxoethyl]phenyl]pyrrolidine-2-carboxamide;hydrochloride has a molecular weight of 339.87 g/mol, XLogP of 2.21, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(diethylamino)-2-oxoethyl]phenyl]pyrrolidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 119283612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).