N-[2-methyl-2-(2-methylphenyl)propyl]pyrrolidine-3-carboxamide;hydrochloride

C16H25ClN2O — CID 119756911

IUPACN-[2-methyl-2-(2-methylphenyl)propyl]pyrrolidine-3-carboxamide;hydrochloride
SMILESCc1ccccc1C(C)(C)CNC(=O)C1CCNC1.Cl
InChIInChI=1S/C16H24N2O.ClH/c1-12-6-4-5-7-14(12)16(2,3)11-18-15(19)13-8-9-17-10-13;/h4-7,13,17H,8-11H2,1-3H3,(H,18,19);1H
InChIKeyXORVTTRTROQBNA-UHFFFAOYSA-N
MW296.84 g/mol
LogP2.42
Rot. Bonds4

About N-[2-methyl-2-(2-methylphenyl)propyl]pyrrolidine-3-carboxamide;hydrochloride

N-[2-methyl-2-(2-methylphenyl)propyl]pyrrolidine-3-carboxamide;hydrochloride (PubChem CID 119756911) has the molecular formula C16H25ClN2O and a molecular weight of 296.84 g/mol. Its IUPAC name is N-[2-methyl-2-(2-methylphenyl)propyl]pyrrolidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[2-methyl-2-(2-methylphenyl)propyl]pyrrolidine-3-carboxamide;hydrochloride
PubChem CID119756911
Molecular FormulaC16H25ClN2O
Molecular Weight296.84 g/mol
Exact Mass296.17
IUPAC NameN-[2-methyl-2-(2-methylphenyl)propyl]pyrrolidine-3-carboxamide;hydrochloride
SMILESCc1ccccc1C(C)(C)CNC(=O)C1CCNC1.Cl
InChIInChI=1S/C16H24N2O.ClH/c1-12-6-4-5-7-14(12)16(2,3)11-18-15(19)13-8-9-17-10-13;/h4-7,13,17H,8-11H2,1-3H3,(H,18,19);1H
InChIKeyXORVTTRTROQBNA-UHFFFAOYSA-N
XLogP2.42
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.84
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,2-dimethyl-3-phenylpropyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119794374
N-[(3-methyl-2-pyridinyl)methyl]pyrrolidine-3-carboxamide;dihydrochloride
CID 119869411
N-[2-(2-fluorophenyl)-2-methylpropyl]azetidine-3-carboxamide
CID 115159146
N-[2-(2,6-dichlorophenyl)-2-methylpropyl]piperidine-4-carboxamide;hydrochloride
CID 75429785
N-[2-methyl-2-(2-methylphenyl)propyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119756896
N-(2-amino-2-methylpropyl)pyrrolidine-3-carboxamide
CID 83617629
(3R)-N-(2-methylphenyl)pyrrolidine-3-carboxamide
CID 94915623
(2R,3S)-2-methyl-N-[2-methyl-2-(2-methylphenyl)propyl]morpholine-3-carboxamide;hydrochloride
CID 120928659
N-[2-(1,3-benzodioxol-5-yl)-2-methylpropyl]pyrrolidine-3-carboxamide
CID 119760054
N-[2-methyl-2-(2-methylphenyl)propyl]piperidin-4-amine
CID 115118569
N-[2-(4-ethylphenyl)-2-methylpropyl]piperidine-3-carboxamide;hydrochloride
CID 119334163
N-[2-(3,4-dichlorophenyl)-2-methylpropyl]piperidine-3-carboxamide;hydrochloride
CID 119311595

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-2-(2-methylphenyl)propyl]pyrrolidine-3-carboxamide;hydrochloride?
The IUPAC name of N-[2-methyl-2-(2-methylphenyl)propyl]pyrrolidine-3-carboxamide;hydrochloride (CID 119756911) is N-[2-methyl-2-(2-methylphenyl)propyl]pyrrolidine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-[2-methyl-2-(2-methylphenyl)propyl]pyrrolidine-3-carboxamide;hydrochloride?
The canonical SMILES for N-[2-methyl-2-(2-methylphenyl)propyl]pyrrolidine-3-carboxamide;hydrochloride is Cc1ccccc1C(C)(C)CNC(=O)C1CCNC1.Cl.
What is the InChIKey of N-[2-methyl-2-(2-methylphenyl)propyl]pyrrolidine-3-carboxamide;hydrochloride?
The InChIKey is XORVTTRTROQBNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O.ClH/c1-12-6-4-5-7-14(12)16(2,3)11-18-15(19)13-8-9-17-10-13;/h4-7,13,17H,8-11H2,1-3H3,(H,18,19);1H.
What are the key properties of N-[2-methyl-2-(2-methylphenyl)propyl]pyrrolidine-3-carboxamide;hydrochloride?
N-[2-methyl-2-(2-methylphenyl)propyl]pyrrolidine-3-carboxamide;hydrochloride has a molecular weight of 296.84 g/mol, XLogP of 2.42, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-2-(2-methylphenyl)propyl]pyrrolidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119756911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).