2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]acetamide

C19H31N3O3 — CID 120773449

IUPAC2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]acetamide
SMILESCOc1cc(C)c(C(C)NC(=O)CN2CCC(C)(CN)C2)cc1OC
InChIInChI=1S/C19H31N3O3/c1-13-8-16(24-4)17(25-5)9-15(13)14(2)21-18(23)10-22-7-6-19(3,11-20)12-22/h8-9,14H,6-7,10-12,20H2,1-5H3,(H,21,23)
InChIKeyZZKXEEVIVLGUFD-UHFFFAOYSA-N
MW349.48 g/mol
LogP1.86
Rot. Bonds7

About 2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]acetamide

2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]acetamide (PubChem CID 120773449) has the molecular formula C19H31N3O3 and a molecular weight of 349.48 g/mol. Its IUPAC name is 2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]acetamide
PubChem CID120773449
Molecular FormulaC19H31N3O3
Molecular Weight349.48 g/mol
Exact Mass349.24
IUPAC Name2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]acetamide
SMILESCOc1cc(C)c(C(C)NC(=O)CN2CCC(C)(CN)C2)cc1OC
InChIInChI=1S/C19H31N3O3/c1-13-8-16(24-4)17(25-5)9-15(13)14(2)21-18(23)10-22-7-6-19(3,11-20)12-22/h8-9,14H,6-7,10-12,20H2,1-5H3,(H,21,23)
InChIKeyZZKXEEVIVLGUFD-UHFFFAOYSA-N
XLogP1.86
TPSA76.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.48
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-[1-(2-chlorophenyl)ethyl]acetamide
CID 120771608
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-[1-(4-chlorophenyl)ethyl]acetamide
CID 120772224
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide;hydrochloride
CID 120773666
N-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]-2-[3-(methylamino)piperidin-1-yl]acetamide;hydrochloride
CID 119918965
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(2,4-dimethoxyphenyl)acetamide
CID 120772965
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(2-methyl-6-propan-2-ylphenyl)acetamide;hydrochloride
CID 120772287
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(3-methoxyphenyl)acetamide;hydrochloride
CID 120773664
7-amino-N-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]heptanamide
CID 119720154
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(3-methyl-1,2-oxazol-5-yl)acetamide;hydrochloride
CID 120771771
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]acetohydrazide
CID 130562628
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-[(3,4-dimethylphenyl)carbamoyl]acetamide;hydrochloride
CID 120773821
N-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119720202

Frequently Asked Questions

What is the IUPAC name of 2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]acetamide?
The IUPAC name of 2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]acetamide (CID 120773449) is 2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]acetamide.
What is the SMILES notation for 2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]acetamide?
The canonical SMILES for 2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]acetamide is COc1cc(C)c(C(C)NC(=O)CN2CCC(C)(CN)C2)cc1OC.
What is the InChIKey of 2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]acetamide?
The InChIKey is ZZKXEEVIVLGUFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O3/c1-13-8-16(24-4)17(25-5)9-15(13)14(2)21-18(23)10-22-7-6-19(3,11-20)12-22/h8-9,14H,6-7,10-12,20H2,1-5H3,(H,21,23).
What are the key properties of 2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]acetamide?
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]acetamide has a molecular weight of 349.48 g/mol, XLogP of 1.86, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]acetamide is sourced from PubChem (CID 120773449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).