N-(1-amino-4-methylpentan-2-yl)-5-oxo-1-(2,4,6-trimethylphenyl)pyrrolidine-3-carboxamide;hydrochloride

C20H32ClN3O2 — CID 119585986

IUPACN-(1-amino-4-methylpentan-2-yl)-5-oxo-1-(2,4,6-trimethylphenyl)pyrrolidine-3-carboxamide;hydrochloride
SMILESCc1cc(C)c(N2CC(C(=O)NC(CN)CC(C)C)CC2=O)c(C)c1.Cl
InChIInChI=1S/C20H31N3O2.ClH/c1-12(2)6-17(10-21)22-20(25)16-9-18(24)23(11-16)19-14(4)7-13(3)8-15(19)5;/h7-8,12,16-17H,6,9-11,21H2,1-5H3,(H,22,25);1H
InChIKeySSJUUMMIBPNKBK-UHFFFAOYSA-N
MW381.95 g/mol
LogP2.88
Rot. Bonds6

About N-(1-amino-4-methylpentan-2-yl)-5-oxo-1-(2,4,6-trimethylphenyl)pyrrolidine-3-carboxamide;hydrochloride

N-(1-amino-4-methylpentan-2-yl)-5-oxo-1-(2,4,6-trimethylphenyl)pyrrolidine-3-carboxamide;hydrochloride (PubChem CID 119585986) has the molecular formula C20H32ClN3O2 and a molecular weight of 381.95 g/mol. Its IUPAC name is N-(1-amino-4-methylpentan-2-yl)-5-oxo-1-(2,4,6-trimethylphenyl)pyrrolidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(1-amino-4-methylpentan-2-yl)-5-oxo-1-(2,4,6-trimethylphenyl)pyrrolidine-3-carboxamide;hydrochloride
PubChem CID119585986
Molecular FormulaC20H32ClN3O2
Molecular Weight381.95 g/mol
Exact Mass381.22
IUPAC NameN-(1-amino-4-methylpentan-2-yl)-5-oxo-1-(2,4,6-trimethylphenyl)pyrrolidine-3-carboxamide;hydrochloride
SMILESCc1cc(C)c(N2CC(C(=O)NC(CN)CC(C)C)CC2=O)c(C)c1.Cl
InChIInChI=1S/C20H31N3O2.ClH/c1-12(2)6-17(10-21)22-20(25)16-9-18(24)23(11-16)19-14(4)7-13(3)8-15(19)5;/h7-8,12,16-17H,6,9-11,21H2,1-5H3,(H,22,25);1H
InChIKeySSJUUMMIBPNKBK-UHFFFAOYSA-N
XLogP2.88
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 ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-amino-4-methylpentan-2-yl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide;hydrochloride
CID 119588603
N-(1-amino-4-methylpentan-2-yl)-1-ethyl-5-oxopyrrolidine-3-carboxamide;hydrochloride
CID 119588613
N-(1-amino-4-methylpentan-2-yl)-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide;hydrochloride
CID 119585859
N-(1-amino-4-methylpentan-2-yl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119588212
N-(1-aminohexan-2-yl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 119667956
N-(1-amino-4-methylpentan-2-yl)-5-oxo-1-(1-phenylethyl)pyrrolidine-3-carboxamide
CID 119585380
N-(1-amino-4-methylpentan-2-yl)-1-benzyl-5-oxopyrrolidine-3-carboxamide
CID 119586792
N-(1-amino-4-methylpentan-2-yl)-5-oxo-1-(1-phenylethyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119585379
4-[2-(aminomethyl)piperidine-1-carbonyl]-1-(2,4,6-trimethylphenyl)pyrrolidin-2-one;hydrochloride
CID 119466766
5-oxo-N-(2-phenylethyl)-1-(2,4,6-trimethylphenyl)pyrrolidine-3-carboxamide
CID 113186747
ethyl 4-[[5-oxo-1-(2,4,6-trimethylphenyl)pyrrolidine-3-carbonyl]amino]benzoate
CID 113186826
N-(1-amino-4-methylpentan-2-yl)-1-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 119588084

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-4-methylpentan-2-yl)-5-oxo-1-(2,4,6-trimethylphenyl)pyrrolidine-3-carboxamide;hydrochloride?
The IUPAC name of N-(1-amino-4-methylpentan-2-yl)-5-oxo-1-(2,4,6-trimethylphenyl)pyrrolidine-3-carboxamide;hydrochloride (CID 119585986) is N-(1-amino-4-methylpentan-2-yl)-5-oxo-1-(2,4,6-trimethylphenyl)pyrrolidine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-(1-amino-4-methylpentan-2-yl)-5-oxo-1-(2,4,6-trimethylphenyl)pyrrolidine-3-carboxamide;hydrochloride?
The canonical SMILES for N-(1-amino-4-methylpentan-2-yl)-5-oxo-1-(2,4,6-trimethylphenyl)pyrrolidine-3-carboxamide;hydrochloride is Cc1cc(C)c(N2CC(C(=O)NC(CN)CC(C)C)CC2=O)c(C)c1.Cl.
What is the InChIKey of N-(1-amino-4-methylpentan-2-yl)-5-oxo-1-(2,4,6-trimethylphenyl)pyrrolidine-3-carboxamide;hydrochloride?
The InChIKey is SSJUUMMIBPNKBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O2.ClH/c1-12(2)6-17(10-21)22-20(25)16-9-18(24)23(11-16)19-14(4)7-13(3)8-15(19)5;/h7-8,12,16-17H,6,9-11,21H2,1-5H3,(H,22,25);1H.
What are the key properties of N-(1-amino-4-methylpentan-2-yl)-5-oxo-1-(2,4,6-trimethylphenyl)pyrrolidine-3-carboxamide;hydrochloride?
N-(1-amino-4-methylpentan-2-yl)-5-oxo-1-(2,4,6-trimethylphenyl)pyrrolidine-3-carboxamide;hydrochloride has a molecular weight of 381.95 g/mol, XLogP of 2.88, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-4-methylpentan-2-yl)-5-oxo-1-(2,4,6-trimethylphenyl)pyrrolidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119585986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).