2-[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-N-[(3-methoxyphenyl)methyl]acetamide

C16H25N3O2 — CID 115486170

IUPAC2-[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-N-[(3-methoxyphenyl)methyl]acetamide
SMILESCOc1cccc(CNC(=O)CN2CC(CN)CC2C)c1
InChIInChI=1S/C16H25N3O2/c1-12-6-14(8-17)10-19(12)11-16(20)18-9-13-4-3-5-15(7-13)21-2/h3-5,7,12,14H,6,8-11,17H2,1-2H3,(H,18,20)
InChIKeyQVILJHFTJHLFLL-UHFFFAOYSA-N
MW291.39 g/mol
LogP0.98
Rot. Bonds6

About 2-[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-N-[(3-methoxyphenyl)methyl]acetamide

2-[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-N-[(3-methoxyphenyl)methyl]acetamide (PubChem CID 115486170) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is 2-[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-N-[(3-methoxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-N-[(3-methoxyphenyl)methyl]acetamide
PubChem CID115486170
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC Name2-[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-N-[(3-methoxyphenyl)methyl]acetamide
SMILESCOc1cccc(CNC(=O)CN2CC(CN)CC2C)c1
InChIInChI=1S/C16H25N3O2/c1-12-6-14(8-17)10-19(12)11-16(20)18-9-13-4-3-5-15(7-13)21-2/h3-5,7,12,14H,6,8-11,17H2,1-2H3,(H,18,20)
InChIKeyQVILJHFTJHLFLL-UHFFFAOYSA-N
XLogP0.98
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(aminomethyl)pyrrolidin-1-yl]-N-[(3-methoxyphenyl)methyl]acetamide
CID 62062896
2-(4-aminopiperidin-1-yl)-N-[(3-methoxyphenyl)methyl]acetamide;hydrochloride
CID 119907160
2-(cyclopropylmethylamino)-N-[(3-methoxyphenyl)methyl]acetamide;hydrochloride
CID 119678219
2-(4-fluoropiperidin-1-yl)-N-[(3-methoxyphenyl)methyl]acetamide
CID 171701324
N-[(3-methoxyphenyl)methyl]-2-[4-(methylaminomethyl)piperidin-1-yl]acetamide
CID 119922266
N-[(3-methoxyphenyl)methyl]-2-[3-(methylaminomethyl)pyrrolidin-1-yl]acetamide;hydrochloride
CID 119921834
N-(2-aminoethyl)-1-[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl]piperidine-3-carboxamide
CID 119916676
2-chloro-N-[(3-methoxyphenyl)methyl]acetamide
CID 4839545
1-(2-aminoethyl)-3-[(3-methoxyphenyl)methyl]urea
CID 117235446
N-[(3-methoxyphenyl)methyl]-2-(2-oxopyrrolidin-1-yl)acetamide
CID 47111335
2-[(2R,4R)-4-hydroxy-2-(3-methoxyphenyl)pyrrolidin-1-yl]-N-(pyridin-3-ylmethyl)acetamide
CID 100736548
2-[2-(4-ethylphenyl)piperazin-1-yl]-N-[(3-methoxyphenyl)methyl]acetamide
CID 120758267

Frequently Asked Questions

What is the IUPAC name of 2-[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-N-[(3-methoxyphenyl)methyl]acetamide?
The IUPAC name of 2-[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-N-[(3-methoxyphenyl)methyl]acetamide (CID 115486170) is 2-[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-N-[(3-methoxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-N-[(3-methoxyphenyl)methyl]acetamide?
The canonical SMILES for 2-[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-N-[(3-methoxyphenyl)methyl]acetamide is COc1cccc(CNC(=O)CN2CC(CN)CC2C)c1.
What is the InChIKey of 2-[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-N-[(3-methoxyphenyl)methyl]acetamide?
The InChIKey is QVILJHFTJHLFLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-12-6-14(8-17)10-19(12)11-16(20)18-9-13-4-3-5-15(7-13)21-2/h3-5,7,12,14H,6,8-11,17H2,1-2H3,(H,18,20).
What are the key properties of 2-[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-N-[(3-methoxyphenyl)methyl]acetamide?
2-[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-N-[(3-methoxyphenyl)methyl]acetamide has a molecular weight of 291.39 g/mol, XLogP of 0.98, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-N-[(3-methoxyphenyl)methyl]acetamide is sourced from PubChem (CID 115486170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).