2-amino-N-[[1-(3-methoxyphenyl)cyclopentyl]methyl]-2-(oxan-4-yl)acetamide;hydrochloride

C20H31ClN2O3 — CID 120792751

IUPAC2-amino-N-[[1-(3-methoxyphenyl)cyclopentyl]methyl]-2-(oxan-4-yl)acetamide;hydrochloride
SMILESCOc1cccc(C2(CNC(=O)C(N)C3CCOCC3)CCCC2)c1.Cl
InChIInChI=1S/C20H30N2O3.ClH/c1-24-17-6-4-5-16(13-17)20(9-2-3-10-20)14-22-19(23)18(21)15-7-11-25-12-8-15;/h4-6,13,15,18H,2-3,7-12,14,21H2,1H3,(H,22,23);1H
InChIKeyCFZORHOXYAKZEW-UHFFFAOYSA-N
MW382.93 g/mol
LogP2.80
Rot. Bonds6

About 2-amino-N-[[1-(3-methoxyphenyl)cyclopentyl]methyl]-2-(oxan-4-yl)acetamide;hydrochloride

2-amino-N-[[1-(3-methoxyphenyl)cyclopentyl]methyl]-2-(oxan-4-yl)acetamide;hydrochloride (PubChem CID 120792751) has the molecular formula C20H31ClN2O3 and a molecular weight of 382.93 g/mol. Its IUPAC name is 2-amino-N-[[1-(3-methoxyphenyl)cyclopentyl]methyl]-2-(oxan-4-yl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-[[1-(3-methoxyphenyl)cyclopentyl]methyl]-2-(oxan-4-yl)acetamide;hydrochloride
PubChem CID120792751
Molecular FormulaC20H31ClN2O3
Molecular Weight382.93 g/mol
Exact Mass382.20
IUPAC Name2-amino-N-[[1-(3-methoxyphenyl)cyclopentyl]methyl]-2-(oxan-4-yl)acetamide;hydrochloride
SMILESCOc1cccc(C2(CNC(=O)C(N)C3CCOCC3)CCCC2)c1.Cl
InChIInChI=1S/C20H30N2O3.ClH/c1-24-17-6-4-5-16(13-17)20(9-2-3-10-20)14-22-19(23)18(21)15-7-11-25-12-8-15;/h4-6,13,15,18H,2-3,7-12,14,21H2,1H3,(H,22,23);1H
InChIKeyCFZORHOXYAKZEW-UHFFFAOYSA-N
XLogP2.80
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.93
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-[[1-(4-fluorophenyl)cyclopentyl]methyl]-2-(oxan-4-yl)acetamide;hydrochloride
CID 120788149
2-amino-N-[[1-(4-fluorophenyl)cyclohexyl]methyl]-2-(oxan-4-yl)acetamide;hydrochloride
CID 120789789
2-amino-N-[[1-(2-methoxyphenyl)cyclopropyl]methyl]-2-(oxan-4-yl)acetamide;hydrochloride
CID 120791307
2-amino-N-[[1-(2-methoxyphenyl)cyclopropyl]methyl]-2-(oxan-4-yl)acetamide
CID 120791308
2-amino-2-(oxan-4-yl)-N-[(1-thiophen-2-ylcyclohexyl)methyl]acetamide
CID 120794568
2-amino-N-[[4-(4-ethoxyphenyl)oxan-4-yl]methyl]-2-(oxan-4-yl)acetamide
CID 120789798
N-[[1-(3-methoxyphenyl)cyclopentyl]methyl]morpholine-3-carboxamide;hydrochloride
CID 119780111
2-amino-N-[(2-bromo-5-methoxyphenyl)methyl]-2-(oxan-4-yl)acetamide;hydrochloride
CID 120788733
2-amino-N-[[4-(5-chloro-2-methoxyphenyl)oxan-4-yl]methyl]-2-(oxan-4-yl)acetamide;hydrochloride
CID 120789809
2-amino-N-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-2-(oxan-4-yl)acetamide
CID 120787446
2-amino-N-[1-(3-methoxyphenyl)propan-2-yl]-2-(oxan-4-yl)acetamide;hydrochloride
CID 120793315
2-amino-N-[1-(3-methoxyphenyl)piperidin-3-yl]-2-(oxan-4-yl)acetamide
CID 120800414

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[[1-(3-methoxyphenyl)cyclopentyl]methyl]-2-(oxan-4-yl)acetamide;hydrochloride?
The IUPAC name of 2-amino-N-[[1-(3-methoxyphenyl)cyclopentyl]methyl]-2-(oxan-4-yl)acetamide;hydrochloride (CID 120792751) is 2-amino-N-[[1-(3-methoxyphenyl)cyclopentyl]methyl]-2-(oxan-4-yl)acetamide;hydrochloride.
What is the SMILES notation for 2-amino-N-[[1-(3-methoxyphenyl)cyclopentyl]methyl]-2-(oxan-4-yl)acetamide;hydrochloride?
The canonical SMILES for 2-amino-N-[[1-(3-methoxyphenyl)cyclopentyl]methyl]-2-(oxan-4-yl)acetamide;hydrochloride is COc1cccc(C2(CNC(=O)C(N)C3CCOCC3)CCCC2)c1.Cl.
What is the InChIKey of 2-amino-N-[[1-(3-methoxyphenyl)cyclopentyl]methyl]-2-(oxan-4-yl)acetamide;hydrochloride?
The InChIKey is CFZORHOXYAKZEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O3.ClH/c1-24-17-6-4-5-16(13-17)20(9-2-3-10-20)14-22-19(23)18(21)15-7-11-25-12-8-15;/h4-6,13,15,18H,2-3,7-12,14,21H2,1H3,(H,22,23);1H.
What are the key properties of 2-amino-N-[[1-(3-methoxyphenyl)cyclopentyl]methyl]-2-(oxan-4-yl)acetamide;hydrochloride?
2-amino-N-[[1-(3-methoxyphenyl)cyclopentyl]methyl]-2-(oxan-4-yl)acetamide;hydrochloride has a molecular weight of 382.93 g/mol, XLogP of 2.80, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[[1-(3-methoxyphenyl)cyclopentyl]methyl]-2-(oxan-4-yl)acetamide;hydrochloride is sourced from PubChem (CID 120792751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).