1-[(3,4-dimethoxyphenyl)methylamino]-N-(2,4,6-trimethylphenyl)pyrrolidine-2-carboxamide;hydrochloride

C23H32ClN3O3 — CID 10252333

IUPAC1-[(3,4-dimethoxyphenyl)methylamino]-N-(2,4,6-trimethylphenyl)pyrrolidine-2-carboxamide;hydrochloride
SMILESCOc1ccc(CNN2CCCC2C(=O)Nc2c(C)cc(C)cc2C)cc1OC.Cl
InChIInChI=1S/C23H31N3O3.ClH/c1-15-11-16(2)22(17(3)12-15)25-23(27)19-7-6-10-26(19)24-14-18-8-9-20(28-4)21(13-18)29-5;/h8-9,11-13,19,24H,6-7,10,14H2,1-5H3,(H,25,27);1H
InChIKeyQWRHDZPNAFTZKH-UHFFFAOYSA-N
MW433.98 g/mol
LogP4.16
Rot. Bonds7

About 1-[(3,4-dimethoxyphenyl)methylamino]-N-(2,4,6-trimethylphenyl)pyrrolidine-2-carboxamide;hydrochloride

1-[(3,4-dimethoxyphenyl)methylamino]-N-(2,4,6-trimethylphenyl)pyrrolidine-2-carboxamide;hydrochloride (PubChem CID 10252333) has the molecular formula C23H32ClN3O3 and a molecular weight of 433.98 g/mol. Its IUPAC name is 1-[(3,4-dimethoxyphenyl)methylamino]-N-(2,4,6-trimethylphenyl)pyrrolidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-[(3,4-dimethoxyphenyl)methylamino]-N-(2,4,6-trimethylphenyl)pyrrolidine-2-carboxamide;hydrochloride
PubChem CID10252333
Molecular FormulaC23H32ClN3O3
Molecular Weight433.98 g/mol
Exact Mass433.21
IUPAC Name1-[(3,4-dimethoxyphenyl)methylamino]-N-(2,4,6-trimethylphenyl)pyrrolidine-2-carboxamide;hydrochloride
SMILESCOc1ccc(CNN2CCCC2C(=O)Nc2c(C)cc(C)cc2C)cc1OC.Cl
InChIInChI=1S/C23H31N3O3.ClH/c1-15-11-16(2)22(17(3)12-15)25-23(27)19-7-6-10-26(19)24-14-18-8-9-20(28-4)21(13-18)29-5;/h8-9,11-13,19,24H,6-7,10,14H2,1-5H3,(H,25,27);1H
InChIKeyQWRHDZPNAFTZKH-UHFFFAOYSA-N
XLogP4.16
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.98
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[(3,4-dimethoxyphenyl)methylamino]-N-(2,4,6-trimethylphenyl)pyrrolidine-2-carboxamide;hydrochloride with MolForge

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Related Compounds

1-[(3,4-dimethoxyphenyl)methylamino]pyrrolidine-2-carboxylic acid
CID 70040939
(2R)-N-(3,4-dimethoxyphenyl)-1-[(3,4-dimethoxyphenyl)methyl]pyrrolidine-2-carboxamide
CID 1352742
1-pentyl-N-(2,4,6-trimethylphenyl)pyrrolidine-2-carboxamide
CID 3916736
1-(3,4-dimethoxyphenyl)sulfonyl-N-(2,4,6-trimethylphenyl)piperidine-3-carboxamide
CID 4038087
N-[(3,4-dimethoxyphenyl)methyl]-2,2-dimethyl-N'-(2,4,6-trimethylphenyl)propanediamide
CID 108965125
(2S)-N-(3,4-dimethoxyphenyl)-1-[(3,4-dimethoxyphenyl)methyl]piperidine-2-carboxamide
CID 1129906
N-(2-chloro-4,6-dimethylphenyl)-2-[(3,4-dimethoxyphenyl)methylamino]acetamide
CID 109003093
N-(4-acetamidophenyl)-1-[(3,4-dimethoxyphenyl)methyl]piperidine-2-carboxamide
CID 110194272
ethyl 1-[(3,4-dimethoxyphenyl)methyl]pyrrolidine-2-carboxylate
CID 62027038
tert-butyl 2-[(3,4-dimethoxyphenyl)methylcarbamoyl]pyrrolidine-1-carboxylate
CID 4826015
N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-(2,4,6-trimethylphenyl)oxamide
CID 2291243
N-(2-chloro-4,6-dimethylphenyl)-3-[(3,4-dimethoxyphenyl)methylamino]propanamide
CID 109028281

Frequently Asked Questions

What is the IUPAC name of 1-[(3,4-dimethoxyphenyl)methylamino]-N-(2,4,6-trimethylphenyl)pyrrolidine-2-carboxamide;hydrochloride?
The IUPAC name of 1-[(3,4-dimethoxyphenyl)methylamino]-N-(2,4,6-trimethylphenyl)pyrrolidine-2-carboxamide;hydrochloride (CID 10252333) is 1-[(3,4-dimethoxyphenyl)methylamino]-N-(2,4,6-trimethylphenyl)pyrrolidine-2-carboxamide;hydrochloride.
What is the SMILES notation for 1-[(3,4-dimethoxyphenyl)methylamino]-N-(2,4,6-trimethylphenyl)pyrrolidine-2-carboxamide;hydrochloride?
The canonical SMILES for 1-[(3,4-dimethoxyphenyl)methylamino]-N-(2,4,6-trimethylphenyl)pyrrolidine-2-carboxamide;hydrochloride is COc1ccc(CNN2CCCC2C(=O)Nc2c(C)cc(C)cc2C)cc1OC.Cl.
What is the InChIKey of 1-[(3,4-dimethoxyphenyl)methylamino]-N-(2,4,6-trimethylphenyl)pyrrolidine-2-carboxamide;hydrochloride?
The InChIKey is QWRHDZPNAFTZKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O3.ClH/c1-15-11-16(2)22(17(3)12-15)25-23(27)19-7-6-10-26(19)24-14-18-8-9-20(28-4)21(13-18)29-5;/h8-9,11-13,19,24H,6-7,10,14H2,1-5H3,(H,25,27);1H.
What are the key properties of 1-[(3,4-dimethoxyphenyl)methylamino]-N-(2,4,6-trimethylphenyl)pyrrolidine-2-carboxamide;hydrochloride?
1-[(3,4-dimethoxyphenyl)methylamino]-N-(2,4,6-trimethylphenyl)pyrrolidine-2-carboxamide;hydrochloride has a molecular weight of 433.98 g/mol, XLogP of 4.16, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,4-dimethoxyphenyl)methylamino]-N-(2,4,6-trimethylphenyl)pyrrolidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 10252333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).