N-[1-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide;hydrochloride

C20H32ClN3O2 — CID 120807780

IUPACN-[1-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide;hydrochloride
SMILESCc1ccccc1C(=O)NC(CC(C)C)C(=O)N1CCC(C)(CN)C1.Cl
InChIInChI=1S/C20H31N3O2.ClH/c1-14(2)11-17(19(25)23-10-9-20(4,12-21)13-23)22-18(24)16-8-6-5-7-15(16)3;/h5-8,14,17H,9-13,21H2,1-4H3,(H,22,24);1H
InChIKeyRBMKDTSPAFINFI-UHFFFAOYSA-N
MW381.95 g/mol
LogP2.76
Rot. Bonds6

About N-[1-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide;hydrochloride

N-[1-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide;hydrochloride (PubChem CID 120807780) has the molecular formula C20H32ClN3O2 and a molecular weight of 381.95 g/mol. Its IUPAC name is N-[1-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide;hydrochloride.

Molecular Properties

Compound NameN-[1-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide;hydrochloride
PubChem CID120807780
Molecular FormulaC20H32ClN3O2
Molecular Weight381.95 g/mol
Exact Mass381.22
IUPAC NameN-[1-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide;hydrochloride
SMILESCc1ccccc1C(=O)NC(CC(C)C)C(=O)N1CCC(C)(CN)C1.Cl
InChIInChI=1S/C20H31N3O2.ClH/c1-14(2)11-17(19(25)23-10-9-20(4,12-21)13-23)22-18(24)16-8-6-5-7-15(16)3;/h5-8,14,17H,9-13,21H2,1-4H3,(H,22,24);1H
InChIKeyRBMKDTSPAFINFI-UHFFFAOYSA-N
XLogP2.76
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.95
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide
CID 120807781
2-methyl-N-[(2R)-4-methyl-1-morpholin-4-yl-1-oxopentan-2-yl]benzamide
CID 2712218
2-methyl-N-(4-methyl-1-oxo-1-piperazin-1-ylpentan-2-yl)benzamide
CID 119402573
N-[1-(4-acetyl-1,4-diazepan-1-yl)-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide
CID 134061617
N-[1-(4-ethylpiperazin-1-yl)-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide
CID 78774150
N-[1-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-1-oxo-3-phenylpropan-2-yl]benzamide
CID 120810441
2-methyl-N-[(2R)-4-methyl-1-oxo-1-(4-pyridin-1-ium-4-ylpiperazin-1-yl)pentan-2-yl]benzamide
CID 9254579
N-[1-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-4-methylsulfanyl-1-oxobutan-2-yl]-3-methylbenzamide;hydrochloride
CID 120808674
N-[(2S)-1-[4-(3-chlorophenyl)piperazin-1-yl]-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide
CID 9146696
1-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-(5-phenyltetrazol-2-yl)propan-1-one;hydrochloride
CID 120808962
N-[1-[4-(3-methoxybenzoyl)piperazin-1-yl]-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide
CID 46570379
1-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-(5-phenyltetrazol-2-yl)propan-1-one
CID 120808963

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide;hydrochloride?
The IUPAC name of N-[1-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide;hydrochloride (CID 120807780) is N-[1-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide;hydrochloride.
What is the SMILES notation for N-[1-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide;hydrochloride?
The canonical SMILES for N-[1-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide;hydrochloride is Cc1ccccc1C(=O)NC(CC(C)C)C(=O)N1CCC(C)(CN)C1.Cl.
What is the InChIKey of N-[1-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide;hydrochloride?
The InChIKey is RBMKDTSPAFINFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O2.ClH/c1-14(2)11-17(19(25)23-10-9-20(4,12-21)13-23)22-18(24)16-8-6-5-7-15(16)3;/h5-8,14,17H,9-13,21H2,1-4H3,(H,22,24);1H.
What are the key properties of N-[1-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide;hydrochloride?
N-[1-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide;hydrochloride has a molecular weight of 381.95 g/mol, XLogP of 2.76, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide;hydrochloride is sourced from PubChem (CID 120807780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).