2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(2,4-dimethoxyphenyl)acetamide

C16H25N3O3 — CID 120772965

IUPAC2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(2,4-dimethoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)CN2CCC(C)(CN)C2)c(OC)c1
InChIInChI=1S/C16H25N3O3/c1-16(10-17)6-7-19(11-16)9-15(20)18-13-5-4-12(21-2)8-14(13)22-3/h4-5,8H,6-7,9-11,17H2,1-3H3,(H,18,20)
InChIKeySFJSHSRFMGRILN-UHFFFAOYSA-N
MW307.39 g/mol
LogP1.31
Rot. Bonds6

About 2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(2,4-dimethoxyphenyl)acetamide

2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(2,4-dimethoxyphenyl)acetamide (PubChem CID 120772965) has the molecular formula C16H25N3O3 and a molecular weight of 307.39 g/mol. Its IUPAC name is 2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(2,4-dimethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(2,4-dimethoxyphenyl)acetamide
PubChem CID120772965
Molecular FormulaC16H25N3O3
Molecular Weight307.39 g/mol
Exact Mass307.19
IUPAC Name2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(2,4-dimethoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)CN2CCC(C)(CN)C2)c(OC)c1
InChIInChI=1S/C16H25N3O3/c1-16(10-17)6-7-19(11-16)9-15(20)18-13-5-4-12(21-2)8-14(13)22-3/h4-5,8H,6-7,9-11,17H2,1-3H3,(H,18,20)
InChIKeySFJSHSRFMGRILN-UHFFFAOYSA-N
XLogP1.31
TPSA76.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(3-methoxyphenyl)acetamide;hydrochloride
CID 120773664
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide;hydrochloride
CID 120773666
1-[2-(2,4-dimethoxyanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 8531166
N-(2,4-dimethoxyphenyl)-2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]acetamide
CID 9130137
N-(4-amino-2-methoxyphenyl)-2-(4-hydroxy-4-methylpiperidin-1-yl)acetamide
CID 81098626
[1-[(2,4-dimethoxyphenyl)methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120781034
N-(2,4-dimethoxyphenyl)-2-[4-(2-methylpropanoyl)piperazin-1-yl]acetamide
CID 18086226
N-(2,4-dimethoxyphenyl)-2-[4-[2-oxo-2-(propan-2-ylamino)ethyl]-1,4-diazepan-1-yl]acetamide
CID 30721755
N-(2,4-dimethoxyphenyl)-2-[4-(3-methoxyphenyl)piperazin-1-yl]acetamide
CID 6466970
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(2,3-dichlorophenyl)acetamide
CID 120772640
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(2,4-dimethoxyphenyl)methanone
CID 120806079
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide;hydrochloride
CID 120773332

Frequently Asked Questions

What is the IUPAC name of 2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(2,4-dimethoxyphenyl)acetamide?
The IUPAC name of 2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(2,4-dimethoxyphenyl)acetamide (CID 120772965) is 2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(2,4-dimethoxyphenyl)acetamide.
What is the SMILES notation for 2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(2,4-dimethoxyphenyl)acetamide?
The canonical SMILES for 2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(2,4-dimethoxyphenyl)acetamide is COc1ccc(NC(=O)CN2CCC(C)(CN)C2)c(OC)c1.
What is the InChIKey of 2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(2,4-dimethoxyphenyl)acetamide?
The InChIKey is SFJSHSRFMGRILN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O3/c1-16(10-17)6-7-19(11-16)9-15(20)18-13-5-4-12(21-2)8-14(13)22-3/h4-5,8H,6-7,9-11,17H2,1-3H3,(H,18,20).
What are the key properties of 2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(2,4-dimethoxyphenyl)acetamide?
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(2,4-dimethoxyphenyl)acetamide has a molecular weight of 307.39 g/mol, XLogP of 1.31, 6 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-(2,4-dimethoxyphenyl)acetamide is sourced from PubChem (CID 120772965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).