1-(aminomethyl)-N-[2-(4-methoxyphenoxy)ethyl]-N-methylcyclopentane-1-carboxamide

C17H26N2O3 — CID 119689145

IUPAC1-(aminomethyl)-N-[2-(4-methoxyphenoxy)ethyl]-N-methylcyclopentane-1-carboxamide
SMILESCOc1ccc(OCCN(C)C(=O)C2(CN)CCCC2)cc1
InChIInChI=1S/C17H26N2O3/c1-19(16(20)17(13-18)9-3-4-10-17)11-12-22-15-7-5-14(21-2)6-8-15/h5-8H,3-4,9-13,18H2,1-2H3
InChIKeyILKWVBLHCFQMSR-UHFFFAOYSA-N
MW306.41 g/mol
LogP2.05
Rot. Bonds7

About 1-(aminomethyl)-N-[2-(4-methoxyphenoxy)ethyl]-N-methylcyclopentane-1-carboxamide

1-(aminomethyl)-N-[2-(4-methoxyphenoxy)ethyl]-N-methylcyclopentane-1-carboxamide (PubChem CID 119689145) has the molecular formula C17H26N2O3 and a molecular weight of 306.41 g/mol. Its IUPAC name is 1-(aminomethyl)-N-[2-(4-methoxyphenoxy)ethyl]-N-methylcyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-(aminomethyl)-N-[2-(4-methoxyphenoxy)ethyl]-N-methylcyclopentane-1-carboxamide
PubChem CID119689145
Molecular FormulaC17H26N2O3
Molecular Weight306.41 g/mol
Exact Mass306.19
IUPAC Name1-(aminomethyl)-N-[2-(4-methoxyphenoxy)ethyl]-N-methylcyclopentane-1-carboxamide
SMILESCOc1ccc(OCCN(C)C(=O)C2(CN)CCCC2)cc1
InChIInChI=1S/C17H26N2O3/c1-19(16(20)17(13-18)9-3-4-10-17)11-12-22-15-7-5-14(21-2)6-8-15/h5-8H,3-4,9-13,18H2,1-2H3
InChIKeyILKWVBLHCFQMSR-UHFFFAOYSA-N
XLogP2.05
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(aminomethyl)-N-[2-(4-chlorophenoxy)ethyl]-N-methylcyclopropane-1-carboxamide
CID 115452729
1-amino-N-[2-(4-methoxyphenoxy)ethyl]-N-methylcyclobutane-1-carboxamide
CID 81173078
4-(aminomethyl)-N-[2-(4-chlorophenoxy)ethyl]-N-methyloxane-4-carboxamide;hydrochloride
CID 120918678
4-(aminomethyl)-N-[2-(4-fluorophenoxy)ethyl]-N-methyloxane-4-carboxamide
CID 120920103
1-(aminomethyl)-N-[2-(3-fluorophenoxy)ethyl]-N-methylcyclobutane-1-carboxamide
CID 115448098
N-[2-(4-methoxyphenoxy)ethyl]-N,3-dimethylpiperidine-3-carboxamide
CID 119943919
1-amino-N-[2-(4-bromophenoxy)ethyl]-N-methylcyclopentane-1-carboxamide
CID 60937922
1-(aminomethyl)-N-[2-(dimethylamino)ethyl]-N-methylcyclopentane-1-carboxamide
CID 63695176
3-amino-2-methoxy-N-[2-(4-methoxyphenoxy)ethyl]-N-methylpropanamide
CID 106111938
1-amino-N-[2-(4-fluorophenoxy)ethyl]-N-methylcyclopropane-1-carboxamide
CID 65464033
2-[1-(aminomethyl)cyclobutyl]-N-[2-(4-chlorophenoxy)ethyl]-N-methylacetamide
CID 81172510
(2S)-2-amino-N-[2-(4-methoxyphenoxy)ethyl]-N-methylbutanamide
CID 79024598

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-[2-(4-methoxyphenoxy)ethyl]-N-methylcyclopentane-1-carboxamide?
The IUPAC name of 1-(aminomethyl)-N-[2-(4-methoxyphenoxy)ethyl]-N-methylcyclopentane-1-carboxamide (CID 119689145) is 1-(aminomethyl)-N-[2-(4-methoxyphenoxy)ethyl]-N-methylcyclopentane-1-carboxamide.
What is the SMILES notation for 1-(aminomethyl)-N-[2-(4-methoxyphenoxy)ethyl]-N-methylcyclopentane-1-carboxamide?
The canonical SMILES for 1-(aminomethyl)-N-[2-(4-methoxyphenoxy)ethyl]-N-methylcyclopentane-1-carboxamide is COc1ccc(OCCN(C)C(=O)C2(CN)CCCC2)cc1.
What is the InChIKey of 1-(aminomethyl)-N-[2-(4-methoxyphenoxy)ethyl]-N-methylcyclopentane-1-carboxamide?
The InChIKey is ILKWVBLHCFQMSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3/c1-19(16(20)17(13-18)9-3-4-10-17)11-12-22-15-7-5-14(21-2)6-8-15/h5-8H,3-4,9-13,18H2,1-2H3.
What are the key properties of 1-(aminomethyl)-N-[2-(4-methoxyphenoxy)ethyl]-N-methylcyclopentane-1-carboxamide?
1-(aminomethyl)-N-[2-(4-methoxyphenoxy)ethyl]-N-methylcyclopentane-1-carboxamide has a molecular weight of 306.41 g/mol, XLogP of 2.05, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-[2-(4-methoxyphenoxy)ethyl]-N-methylcyclopentane-1-carboxamide is sourced from PubChem (CID 119689145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).