N-[2-(aminomethyl)cyclopentyl]-2-[3-(2-oxopyrrolidin-1-yl)phenoxy]acetamide;hydrochloride

C18H26ClN3O3 — CID 119602651

IUPACN-[2-(aminomethyl)cyclopentyl]-2-[3-(2-oxopyrrolidin-1-yl)phenoxy]acetamide;hydrochloride
SMILESCl.NCC1CCCC1NC(=O)COc1cccc(N2CCCC2=O)c1
InChIInChI=1S/C18H25N3O3.ClH/c19-11-13-4-1-7-16(13)20-17(22)12-24-15-6-2-5-14(10-15)21-9-3-8-18(21)23;/h2,5-6,10,13,16H,1,3-4,7-9,11-12,19H2,(H,20,22);1H
InChIKeyIAJZRPJLDMVCCD-UHFFFAOYSA-N
MW367.88 g/mol
LogP1.86
Rot. Bonds6

About N-[2-(aminomethyl)cyclopentyl]-2-[3-(2-oxopyrrolidin-1-yl)phenoxy]acetamide;hydrochloride

N-[2-(aminomethyl)cyclopentyl]-2-[3-(2-oxopyrrolidin-1-yl)phenoxy]acetamide;hydrochloride (PubChem CID 119602651) has the molecular formula C18H26ClN3O3 and a molecular weight of 367.88 g/mol. Its IUPAC name is N-[2-(aminomethyl)cyclopentyl]-2-[3-(2-oxopyrrolidin-1-yl)phenoxy]acetamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(aminomethyl)cyclopentyl]-2-[3-(2-oxopyrrolidin-1-yl)phenoxy]acetamide;hydrochloride
PubChem CID119602651
Molecular FormulaC18H26ClN3O3
Molecular Weight367.88 g/mol
Exact Mass367.17
IUPAC NameN-[2-(aminomethyl)cyclopentyl]-2-[3-(2-oxopyrrolidin-1-yl)phenoxy]acetamide;hydrochloride
SMILESCl.NCC1CCCC1NC(=O)COc1cccc(N2CCCC2=O)c1
InChIInChI=1S/C18H25N3O3.ClH/c19-11-13-4-1-7-16(13)20-17(22)12-24-15-6-2-5-14(10-15)21-9-3-8-18(21)23;/h2,5-6,10,13,16H,1,3-4,7-9,11-12,19H2,(H,20,22);1H
InChIKeyIAJZRPJLDMVCCD-UHFFFAOYSA-N
XLogP1.86
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.88
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclooctyl-2-[3-(2-oxopyrrolidin-1-yl)phenoxy]acetamide
CID 18106196
N-[2-(aminomethyl)cyclopentyl]-2-phenoxyacetamide;hydrochloride
CID 119601101
N-[2-(aminomethyl)cyclopentyl]-2-(3-methylphenoxy)acetamide
CID 119603622
2-[3-(2-oxopyrrolidin-1-yl)phenoxy]-N-(1-phenylpiperidin-4-yl)acetamide
CID 86828694
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-[3-(2-oxopyrrolidin-1-yl)phenoxy]acetamide
CID 29412100
N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-2-[3-(2-oxopyrrolidin-1-yl)phenoxy]acetamide
CID 78901883
N-(3-aminobutyl)-2-[3-(2-oxopyrrolidin-1-yl)phenoxy]acetamide
CID 119496961
N-(2,2-dimethyl-1-phenylpropyl)-2-[3-(2-oxopyrrolidin-1-yl)phenoxy]acetamide
CID 78864739
2-[3-(2-oxopiperidin-1-yl)phenoxy]ethanethioamide
CID 43369803
1-[3-[2-[4-(methylamino)piperidin-1-yl]-2-oxoethoxy]phenyl]pyrrolidin-2-one
CID 119561650
methyl 2,2-dimethyl-3-[3-(2-oxopyrrolidin-1-yl)phenoxy]propanoate
CID 79620550
N-[2-(aminomethyl)cyclohexyl]-2-(4-ethoxyphenoxy)acetamide;hydrochloride
CID 119610949

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)cyclopentyl]-2-[3-(2-oxopyrrolidin-1-yl)phenoxy]acetamide;hydrochloride?
The IUPAC name of N-[2-(aminomethyl)cyclopentyl]-2-[3-(2-oxopyrrolidin-1-yl)phenoxy]acetamide;hydrochloride (CID 119602651) is N-[2-(aminomethyl)cyclopentyl]-2-[3-(2-oxopyrrolidin-1-yl)phenoxy]acetamide;hydrochloride.
What is the SMILES notation for N-[2-(aminomethyl)cyclopentyl]-2-[3-(2-oxopyrrolidin-1-yl)phenoxy]acetamide;hydrochloride?
The canonical SMILES for N-[2-(aminomethyl)cyclopentyl]-2-[3-(2-oxopyrrolidin-1-yl)phenoxy]acetamide;hydrochloride is Cl.NCC1CCCC1NC(=O)COc1cccc(N2CCCC2=O)c1.
What is the InChIKey of N-[2-(aminomethyl)cyclopentyl]-2-[3-(2-oxopyrrolidin-1-yl)phenoxy]acetamide;hydrochloride?
The InChIKey is IAJZRPJLDMVCCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O3.ClH/c19-11-13-4-1-7-16(13)20-17(22)12-24-15-6-2-5-14(10-15)21-9-3-8-18(21)23;/h2,5-6,10,13,16H,1,3-4,7-9,11-12,19H2,(H,20,22);1H.
What are the key properties of N-[2-(aminomethyl)cyclopentyl]-2-[3-(2-oxopyrrolidin-1-yl)phenoxy]acetamide;hydrochloride?
N-[2-(aminomethyl)cyclopentyl]-2-[3-(2-oxopyrrolidin-1-yl)phenoxy]acetamide;hydrochloride has a molecular weight of 367.88 g/mol, XLogP of 1.86, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)cyclopentyl]-2-[3-(2-oxopyrrolidin-1-yl)phenoxy]acetamide;hydrochloride is sourced from PubChem (CID 119602651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).