N-(3-amino-2,2-dimethylpropyl)-1-(3,5-dimethylphenyl)-N-methyl-2-oxopyrrolidine-3-carboxamide;hydrochloride

C19H30ClN3O2 — CID 119655180

IUPACN-(3-amino-2,2-dimethylpropyl)-1-(3,5-dimethylphenyl)-N-methyl-2-oxopyrrolidine-3-carboxamide;hydrochloride
SMILESCc1cc(C)cc(N2CCC(C(=O)N(C)CC(C)(C)CN)C2=O)c1.Cl
InChIInChI=1S/C19H29N3O2.ClH/c1-13-8-14(2)10-15(9-13)22-7-6-16(18(22)24)17(23)21(5)12-19(3,4)11-20;/h8-10,16H,6-7,11-12,20H2,1-5H3;1H
InChIKeyXIUFCLGQFOJOHR-UHFFFAOYSA-N
MW367.92 g/mol
LogP2.52
Rot. Bonds5

About N-(3-amino-2,2-dimethylpropyl)-1-(3,5-dimethylphenyl)-N-methyl-2-oxopyrrolidine-3-carboxamide;hydrochloride

N-(3-amino-2,2-dimethylpropyl)-1-(3,5-dimethylphenyl)-N-methyl-2-oxopyrrolidine-3-carboxamide;hydrochloride (PubChem CID 119655180) has the molecular formula C19H30ClN3O2 and a molecular weight of 367.92 g/mol. Its IUPAC name is N-(3-amino-2,2-dimethylpropyl)-1-(3,5-dimethylphenyl)-N-methyl-2-oxopyrrolidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(3-amino-2,2-dimethylpropyl)-1-(3,5-dimethylphenyl)-N-methyl-2-oxopyrrolidine-3-carboxamide;hydrochloride
PubChem CID119655180
Molecular FormulaC19H30ClN3O2
Molecular Weight367.92 g/mol
Exact Mass367.20
IUPAC NameN-(3-amino-2,2-dimethylpropyl)-1-(3,5-dimethylphenyl)-N-methyl-2-oxopyrrolidine-3-carboxamide;hydrochloride
SMILESCc1cc(C)cc(N2CCC(C(=O)N(C)CC(C)(C)CN)C2=O)c1.Cl
InChIInChI=1S/C19H29N3O2.ClH/c1-13-8-14(2)10-15(9-13)22-7-6-16(18(22)24)17(23)21(5)12-19(3,4)11-20;/h8-10,16H,6-7,11-12,20H2,1-5H3;1H
InChIKeyXIUFCLGQFOJOHR-UHFFFAOYSA-N
XLogP2.52
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.92
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2-dimethylpropyl)-1-(3,5-dimethylphenyl)-N-methyl-2-oxopyrrolidine-3-carboxamide;hydrochloride?
The IUPAC name of N-(3-amino-2,2-dimethylpropyl)-1-(3,5-dimethylphenyl)-N-methyl-2-oxopyrrolidine-3-carboxamide;hydrochloride (CID 119655180) is N-(3-amino-2,2-dimethylpropyl)-1-(3,5-dimethylphenyl)-N-methyl-2-oxopyrrolidine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-(3-amino-2,2-dimethylpropyl)-1-(3,5-dimethylphenyl)-N-methyl-2-oxopyrrolidine-3-carboxamide;hydrochloride?
The canonical SMILES for N-(3-amino-2,2-dimethylpropyl)-1-(3,5-dimethylphenyl)-N-methyl-2-oxopyrrolidine-3-carboxamide;hydrochloride is Cc1cc(C)cc(N2CCC(C(=O)N(C)CC(C)(C)CN)C2=O)c1.Cl.
What is the InChIKey of N-(3-amino-2,2-dimethylpropyl)-1-(3,5-dimethylphenyl)-N-methyl-2-oxopyrrolidine-3-carboxamide;hydrochloride?
The InChIKey is XIUFCLGQFOJOHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O2.ClH/c1-13-8-14(2)10-15(9-13)22-7-6-16(18(22)24)17(23)21(5)12-19(3,4)11-20;/h8-10,16H,6-7,11-12,20H2,1-5H3;1H.
What are the key properties of N-(3-amino-2,2-dimethylpropyl)-1-(3,5-dimethylphenyl)-N-methyl-2-oxopyrrolidine-3-carboxamide;hydrochloride?
N-(3-amino-2,2-dimethylpropyl)-1-(3,5-dimethylphenyl)-N-methyl-2-oxopyrrolidine-3-carboxamide;hydrochloride has a molecular weight of 367.92 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,2-dimethylpropyl)-1-(3,5-dimethylphenyl)-N-methyl-2-oxopyrrolidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119655180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).