4-(aminomethyl)-N-[[1-(2-methoxyphenyl)cyclopentyl]methyl]oxane-4-carboxamide;hydrochloride

C20H31ClN2O3 — CID 120927497

IUPAC4-(aminomethyl)-N-[[1-(2-methoxyphenyl)cyclopentyl]methyl]oxane-4-carboxamide;hydrochloride
SMILESCOc1ccccc1C1(CNC(=O)C2(CN)CCOCC2)CCCC1.Cl
InChIInChI=1S/C20H30N2O3.ClH/c1-24-17-7-3-2-6-16(17)20(8-4-5-9-20)15-22-18(23)19(14-21)10-12-25-13-11-19;/h2-3,6-7H,4-5,8-15,21H2,1H3,(H,22,23);1H
InChIKeyNPTZZBQRDYBHOH-UHFFFAOYSA-N
MW382.93 g/mol
LogP2.80
Rot. Bonds6

About 4-(aminomethyl)-N-[[1-(2-methoxyphenyl)cyclopentyl]methyl]oxane-4-carboxamide;hydrochloride

4-(aminomethyl)-N-[[1-(2-methoxyphenyl)cyclopentyl]methyl]oxane-4-carboxamide;hydrochloride (PubChem CID 120927497) has the molecular formula C20H31ClN2O3 and a molecular weight of 382.93 g/mol. Its IUPAC name is 4-(aminomethyl)-N-[[1-(2-methoxyphenyl)cyclopentyl]methyl]oxane-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name4-(aminomethyl)-N-[[1-(2-methoxyphenyl)cyclopentyl]methyl]oxane-4-carboxamide;hydrochloride
PubChem CID120927497
Molecular FormulaC20H31ClN2O3
Molecular Weight382.93 g/mol
Exact Mass382.20
IUPAC Name4-(aminomethyl)-N-[[1-(2-methoxyphenyl)cyclopentyl]methyl]oxane-4-carboxamide;hydrochloride
SMILESCOc1ccccc1C1(CNC(=O)C2(CN)CCOCC2)CCCC1.Cl
InChIInChI=1S/C20H30N2O3.ClH/c1-24-17-7-3-2-6-16(17)20(8-4-5-9-20)15-22-18(23)19(14-21)10-12-25-13-11-19;/h2-3,6-7H,4-5,8-15,21H2,1H3,(H,22,23);1H
InChIKeyNPTZZBQRDYBHOH-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

4-(aminomethyl)-N-[[1-(3,4-dimethoxyphenyl)cyclohexyl]methyl]oxane-4-carboxamide;hydrochloride
CID 120932991
4-(aminomethyl)-N-[(1-phenylcyclopentyl)methyl]oxane-4-carboxamide
CID 120920461
4-(aminomethyl)-N-[[1-(4-chlorophenyl)cyclopentyl]methyl]oxane-4-carboxamide;hydrochloride
CID 120927834
4-(aminomethyl)-N-[(1-phenylcyclobutyl)methyl]oxane-4-carboxamide
CID 120920624
2-(4-aminophenyl)-N-[[1-(2-methoxyphenyl)cyclopentyl]methyl]acetamide;hydrochloride
CID 119747038
4-(aminomethyl)-N-[[1-(4-chlorophenyl)cyclohexyl]methyl]oxane-4-carboxamide;hydrochloride
CID 120930158
methyl N-[[1-(2-methoxyphenyl)cyclobutyl]methyl]carbamate
CID 110477745
4-methoxy-N-[[4-(2-methoxyphenyl)oxan-4-yl]methyl]benzamide
CID 27449238
N-[[4-(2-methoxyphenyl)oxan-4-yl]methyl]cyclopropanecarboxamide
CID 27449334
4-(aminomethyl)-N-[[1-(4-chlorophenyl)cyclobutyl]methyl]oxane-4-carboxamide
CID 120930589
2-amino-N-[[1-(2-methoxyphenyl)cyclopropyl]methyl]-2-(oxan-4-yl)acetamide;hydrochloride
CID 120791307
4-(aminomethyl)-N-[4-(2-methoxyphenoxy)phenyl]oxane-4-carboxamide
CID 120920350

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-[[1-(2-methoxyphenyl)cyclopentyl]methyl]oxane-4-carboxamide;hydrochloride?
The IUPAC name of 4-(aminomethyl)-N-[[1-(2-methoxyphenyl)cyclopentyl]methyl]oxane-4-carboxamide;hydrochloride (CID 120927497) is 4-(aminomethyl)-N-[[1-(2-methoxyphenyl)cyclopentyl]methyl]oxane-4-carboxamide;hydrochloride.
What is the SMILES notation for 4-(aminomethyl)-N-[[1-(2-methoxyphenyl)cyclopentyl]methyl]oxane-4-carboxamide;hydrochloride?
The canonical SMILES for 4-(aminomethyl)-N-[[1-(2-methoxyphenyl)cyclopentyl]methyl]oxane-4-carboxamide;hydrochloride is COc1ccccc1C1(CNC(=O)C2(CN)CCOCC2)CCCC1.Cl.
What is the InChIKey of 4-(aminomethyl)-N-[[1-(2-methoxyphenyl)cyclopentyl]methyl]oxane-4-carboxamide;hydrochloride?
The InChIKey is NPTZZBQRDYBHOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O3.ClH/c1-24-17-7-3-2-6-16(17)20(8-4-5-9-20)15-22-18(23)19(14-21)10-12-25-13-11-19;/h2-3,6-7H,4-5,8-15,21H2,1H3,(H,22,23);1H.
What are the key properties of 4-(aminomethyl)-N-[[1-(2-methoxyphenyl)cyclopentyl]methyl]oxane-4-carboxamide;hydrochloride?
4-(aminomethyl)-N-[[1-(2-methoxyphenyl)cyclopentyl]methyl]oxane-4-carboxamide;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 4-(aminomethyl)-N-[[1-(2-methoxyphenyl)cyclopentyl]methyl]oxane-4-carboxamide;hydrochloride is sourced from PubChem (CID 120927497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).