N-(2-amino-2-methylpropyl)-5-oxo-1-(4-propylphenyl)pyrrolidine-3-carboxamide;hydrochloride

C18H28ClN3O2 — CID 119628581

IUPACN-(2-amino-2-methylpropyl)-5-oxo-1-(4-propylphenyl)pyrrolidine-3-carboxamide;hydrochloride
SMILESCCCc1ccc(N2CC(C(=O)NCC(C)(C)N)CC2=O)cc1.Cl
InChIInChI=1S/C18H27N3O2.ClH/c1-4-5-13-6-8-15(9-7-13)21-11-14(10-16(21)22)17(23)20-12-18(2,3)19;/h6-9,14H,4-5,10-12,19H2,1-3H3,(H,20,23);1H
InChIKeyXIENPSJGHZIVOP-UHFFFAOYSA-N
MW353.89 g/mol
LogP2.27
Rot. Bonds6

About N-(2-amino-2-methylpropyl)-5-oxo-1-(4-propylphenyl)pyrrolidine-3-carboxamide;hydrochloride

N-(2-amino-2-methylpropyl)-5-oxo-1-(4-propylphenyl)pyrrolidine-3-carboxamide;hydrochloride (PubChem CID 119628581) has the molecular formula C18H28ClN3O2 and a molecular weight of 353.89 g/mol. Its IUPAC name is N-(2-amino-2-methylpropyl)-5-oxo-1-(4-propylphenyl)pyrrolidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(2-amino-2-methylpropyl)-5-oxo-1-(4-propylphenyl)pyrrolidine-3-carboxamide;hydrochloride
PubChem CID119628581
Molecular FormulaC18H28ClN3O2
Molecular Weight353.89 g/mol
Exact Mass353.19
IUPAC NameN-(2-amino-2-methylpropyl)-5-oxo-1-(4-propylphenyl)pyrrolidine-3-carboxamide;hydrochloride
SMILESCCCc1ccc(N2CC(C(=O)NCC(C)(C)N)CC2=O)cc1.Cl
InChIInChI=1S/C18H27N3O2.ClH/c1-4-5-13-6-8-15(9-7-13)21-11-14(10-16(21)22)17(23)20-12-18(2,3)19;/h6-9,14H,4-5,10-12,19H2,1-3H3,(H,20,23);1H
InChIKeyXIENPSJGHZIVOP-UHFFFAOYSA-N
XLogP2.27
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.89
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-amino-2-methylpropyl)-1-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 119630418
N-(1-amino-2-methylpropan-2-yl)-5-oxo-1-(4-propylphenyl)pyrrolidine-3-carboxamide
CID 119523528
(2R)-2-[[5-oxo-1-(4-propylphenyl)pyrrolidine-3-carbonyl]amino]propanoic acid
CID 119370329
N-[(4-hydroxypyrrolidin-3-yl)methyl]-5-oxo-1-(4-propylphenyl)pyrrolidine-3-carboxamide
CID 120948417
N-(2-amino-2-ethylbutyl)-1-(4-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxamide;hydrochloride
CID 119642525
1-[[5-oxo-1-(4-propylphenyl)pyrrolidine-3-carbonyl]amino]cyclopropane-1-carboxylic acid
CID 120688398
1-(4-butylphenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 47160631
N-(4,5-dihydro-1,3-thiazol-2-yl)-5-oxo-1-(4-propylphenyl)pyrrolidine-3-carboxamide
CID 42890394
1-(4-ethylphenyl)-N-(4-hydroxy-2,2-dimethylpentyl)-5-oxopyrrolidine-3-carboxamide
CID 111480635
(3R)-N-[2,2-dimethyl-3-[[(3R)-5-oxo-1-phenylpyrrolidine-3-carbonyl]amino]propyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 40736715
(3R)-5-oxo-1-(4-propylphenyl)-N-(4-sulfamoylphenyl)pyrrolidine-3-carboxamide
CID 51935594
1-(4-butylphenyl)-N-ethoxy-5-oxopyrrolidine-3-carboxamide
CID 46581289

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-methylpropyl)-5-oxo-1-(4-propylphenyl)pyrrolidine-3-carboxamide;hydrochloride?
The IUPAC name of N-(2-amino-2-methylpropyl)-5-oxo-1-(4-propylphenyl)pyrrolidine-3-carboxamide;hydrochloride (CID 119628581) is N-(2-amino-2-methylpropyl)-5-oxo-1-(4-propylphenyl)pyrrolidine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-(2-amino-2-methylpropyl)-5-oxo-1-(4-propylphenyl)pyrrolidine-3-carboxamide;hydrochloride?
The canonical SMILES for N-(2-amino-2-methylpropyl)-5-oxo-1-(4-propylphenyl)pyrrolidine-3-carboxamide;hydrochloride is CCCc1ccc(N2CC(C(=O)NCC(C)(C)N)CC2=O)cc1.Cl.
What is the InChIKey of N-(2-amino-2-methylpropyl)-5-oxo-1-(4-propylphenyl)pyrrolidine-3-carboxamide;hydrochloride?
The InChIKey is XIENPSJGHZIVOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2.ClH/c1-4-5-13-6-8-15(9-7-13)21-11-14(10-16(21)22)17(23)20-12-18(2,3)19;/h6-9,14H,4-5,10-12,19H2,1-3H3,(H,20,23);1H.
What are the key properties of N-(2-amino-2-methylpropyl)-5-oxo-1-(4-propylphenyl)pyrrolidine-3-carboxamide;hydrochloride?
N-(2-amino-2-methylpropyl)-5-oxo-1-(4-propylphenyl)pyrrolidine-3-carboxamide;hydrochloride has a molecular weight of 353.89 g/mol, XLogP of 2.27, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-methylpropyl)-5-oxo-1-(4-propylphenyl)pyrrolidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119628581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).