2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-[[4-(2-amino-2-oxoethoxy)phenyl]methyl]acetamide;hydrochloride

C17H27ClN4O3 — CID 120773098

IUPAC2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-[[4-(2-amino-2-oxoethoxy)phenyl]methyl]acetamide;hydrochloride
SMILESCC1(CN)CCN(CC(=O)NCc2ccc(OCC(N)=O)cc2)C1.Cl
InChIInChI=1S/C17H26N4O3.ClH/c1-17(11-18)6-7-21(12-17)9-16(23)20-8-13-2-4-14(5-3-13)24-10-15(19)22;/h2-5H,6-12,18H2,1H3,(H2,19,22)(H,20,23);1H
InChIKeyICBCWVURIPYQMF-UHFFFAOYSA-N
MW370.88 g/mol
LogP0.26
Rot. Bonds8

About 2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-[[4-(2-amino-2-oxoethoxy)phenyl]methyl]acetamide;hydrochloride

2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-[[4-(2-amino-2-oxoethoxy)phenyl]methyl]acetamide;hydrochloride (PubChem CID 120773098) has the molecular formula C17H27ClN4O3 and a molecular weight of 370.88 g/mol. Its IUPAC name is 2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-[[4-(2-amino-2-oxoethoxy)phenyl]methyl]acetamide;hydrochloride.

Molecular Properties

Compound Name2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-[[4-(2-amino-2-oxoethoxy)phenyl]methyl]acetamide;hydrochloride
PubChem CID120773098
Molecular FormulaC17H27ClN4O3
Molecular Weight370.88 g/mol
Exact Mass370.18
IUPAC Name2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-[[4-(2-amino-2-oxoethoxy)phenyl]methyl]acetamide;hydrochloride
SMILESCC1(CN)CCN(CC(=O)NCc2ccc(OCC(N)=O)cc2)C1.Cl
InChIInChI=1S/C17H26N4O3.ClH/c1-17(11-18)6-7-21(12-17)9-16(23)20-8-13-2-4-14(5-3-13)24-10-15(19)22;/h2-5H,6-12,18H2,1H3,(H2,19,22)(H,20,23);1H
InChIKeyICBCWVURIPYQMF-UHFFFAOYSA-N
XLogP0.26
TPSA110.68 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.88
LogP ≤ 50.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-[(4-chlorophenyl)methyl]acetamide;hydrochloride
CID 120771662
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-[[4-(trifluoromethoxy)phenyl]methyl]acetamide
CID 120771393
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-benzylacetamide
CID 120772947
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-[2-[4-(trifluoromethoxy)phenyl]ethyl]acetamide;hydrochloride
CID 120771688
N-[[4-(2-amino-2-oxoethoxy)phenyl]methyl]-2-(3-oxopiperazin-1-yl)acetamide
CID 56796707
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-[(1-phenylpyrazol-4-yl)methyl]acetamide;hydrochloride
CID 120771390
ethyl 2-[4-[[3-(aminomethyl)-3-methylpyrrolidin-1-yl]methyl]phenoxy]acetate
CID 120780403
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-[(1-phenylcyclopropyl)methyl]acetamide;hydrochloride
CID 120772174
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]acetamide
CID 130562485
2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-[(4-propoxyphenyl)methyl]acetamide
CID 120774187
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-[2-(3-chlorophenoxy)ethyl]acetamide
CID 120771441
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]acetohydrazide
CID 130562628

Frequently Asked Questions

What is the IUPAC name of 2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-[[4-(2-amino-2-oxoethoxy)phenyl]methyl]acetamide;hydrochloride?
The IUPAC name of 2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-[[4-(2-amino-2-oxoethoxy)phenyl]methyl]acetamide;hydrochloride (CID 120773098) is 2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-[[4-(2-amino-2-oxoethoxy)phenyl]methyl]acetamide;hydrochloride.
What is the SMILES notation for 2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-[[4-(2-amino-2-oxoethoxy)phenyl]methyl]acetamide;hydrochloride?
The canonical SMILES for 2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-[[4-(2-amino-2-oxoethoxy)phenyl]methyl]acetamide;hydrochloride is CC1(CN)CCN(CC(=O)NCc2ccc(OCC(N)=O)cc2)C1.Cl.
What is the InChIKey of 2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-[[4-(2-amino-2-oxoethoxy)phenyl]methyl]acetamide;hydrochloride?
The InChIKey is ICBCWVURIPYQMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O3.ClH/c1-17(11-18)6-7-21(12-17)9-16(23)20-8-13-2-4-14(5-3-13)24-10-15(19)22;/h2-5H,6-12,18H2,1H3,(H2,19,22)(H,20,23);1H.
What are the key properties of 2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-[[4-(2-amino-2-oxoethoxy)phenyl]methyl]acetamide;hydrochloride?
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-[[4-(2-amino-2-oxoethoxy)phenyl]methyl]acetamide;hydrochloride has a molecular weight of 370.88 g/mol, XLogP of 0.26, 8 rotatable bonds, 3 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-[[4-(2-amino-2-oxoethoxy)phenyl]methyl]acetamide;hydrochloride is sourced from PubChem (CID 120773098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).