2-[1-(aminomethyl)cyclobutyl]-N-[2-(4-chlorophenoxy)ethyl]-N-methylacetamide

C16H23ClN2O2 — CID 81172510

IUPAC2-[1-(aminomethyl)cyclobutyl]-N-[2-(4-chlorophenoxy)ethyl]-N-methylacetamide
SMILESCN(CCOc1ccc(Cl)cc1)C(=O)CC1(CN)CCC1
InChIInChI=1S/C16H23ClN2O2/c1-19(15(20)11-16(12-18)7-2-8-16)9-10-21-14-5-3-13(17)4-6-14/h3-6H,2,7-12,18H2,1H3
InChIKeyHZWJIOYFYDHPKT-UHFFFAOYSA-N
MW310.82 g/mol
LogP2.70
Rot. Bonds7

About 2-[1-(aminomethyl)cyclobutyl]-N-[2-(4-chlorophenoxy)ethyl]-N-methylacetamide

2-[1-(aminomethyl)cyclobutyl]-N-[2-(4-chlorophenoxy)ethyl]-N-methylacetamide (PubChem CID 81172510) has the molecular formula C16H23ClN2O2 and a molecular weight of 310.82 g/mol. Its IUPAC name is 2-[1-(aminomethyl)cyclobutyl]-N-[2-(4-chlorophenoxy)ethyl]-N-methylacetamide.

Molecular Properties

Compound Name2-[1-(aminomethyl)cyclobutyl]-N-[2-(4-chlorophenoxy)ethyl]-N-methylacetamide
PubChem CID81172510
Molecular FormulaC16H23ClN2O2
Molecular Weight310.82 g/mol
Exact Mass310.14
IUPAC Name2-[1-(aminomethyl)cyclobutyl]-N-[2-(4-chlorophenoxy)ethyl]-N-methylacetamide
SMILESCN(CCOc1ccc(Cl)cc1)C(=O)CC1(CN)CCC1
InChIInChI=1S/C16H23ClN2O2/c1-19(15(20)11-16(12-18)7-2-8-16)9-10-21-14-5-3-13(17)4-6-14/h3-6H,2,7-12,18H2,1H3
InChIKeyHZWJIOYFYDHPKT-UHFFFAOYSA-N
XLogP2.70
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.82
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(aminomethyl)cyclobutyl]-N-methyl-N-[2-(4-methylphenoxy)ethyl]acetamide
CID 81172117
1-(aminomethyl)-N-[2-(4-chlorophenoxy)ethyl]-N-methylcyclopropane-1-carboxamide
CID 115452729
4-(aminomethyl)-N-[2-(4-chlorophenoxy)ethyl]-N-methyloxane-4-carboxamide;hydrochloride
CID 120918678
4-amino-N-[2-(4-chlorophenoxy)ethyl]-N,3-dimethylbutanamide
CID 81075390
2-[1-(aminomethyl)cyclobutyl]-N-[(4-methoxyphenyl)methyl]-N-methylacetamide
CID 81172310
4-chloro-N-[2-(4-chlorophenoxy)ethyl]-N-methylbutanamide
CID 63307950
N-[2-(4-chlorophenoxy)ethyl]-N-methyl-4-(methylamino)butanamide
CID 54868859
3-(aminomethyl)-N-[2-(4-chlorophenoxy)ethyl]-N-methylpentanamide
CID 81075313
N-[2-(4-chlorophenoxy)ethyl]-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-methylacetamide
CID 17485630
1-(aminomethyl)-N-[2-(4-methoxyphenoxy)ethyl]-N-methylcyclopentane-1-carboxamide
CID 119689145
2-amino-N-[2-(4-chlorophenoxy)ethyl]-3,3,3-trifluoro-N,2-dimethylpropanamide
CID 79793142
1-amino-N-[3-(4-chlorophenoxy)propyl]-N-methylcyclopropane-1-carboxamide;hydrochloride
CID 119739903

Frequently Asked Questions

What is the IUPAC name of 2-[1-(aminomethyl)cyclobutyl]-N-[2-(4-chlorophenoxy)ethyl]-N-methylacetamide?
The IUPAC name of 2-[1-(aminomethyl)cyclobutyl]-N-[2-(4-chlorophenoxy)ethyl]-N-methylacetamide (CID 81172510) is 2-[1-(aminomethyl)cyclobutyl]-N-[2-(4-chlorophenoxy)ethyl]-N-methylacetamide.
What is the SMILES notation for 2-[1-(aminomethyl)cyclobutyl]-N-[2-(4-chlorophenoxy)ethyl]-N-methylacetamide?
The canonical SMILES for 2-[1-(aminomethyl)cyclobutyl]-N-[2-(4-chlorophenoxy)ethyl]-N-methylacetamide is CN(CCOc1ccc(Cl)cc1)C(=O)CC1(CN)CCC1.
What is the InChIKey of 2-[1-(aminomethyl)cyclobutyl]-N-[2-(4-chlorophenoxy)ethyl]-N-methylacetamide?
The InChIKey is HZWJIOYFYDHPKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2O2/c1-19(15(20)11-16(12-18)7-2-8-16)9-10-21-14-5-3-13(17)4-6-14/h3-6H,2,7-12,18H2,1H3.
What are the key properties of 2-[1-(aminomethyl)cyclobutyl]-N-[2-(4-chlorophenoxy)ethyl]-N-methylacetamide?
2-[1-(aminomethyl)cyclobutyl]-N-[2-(4-chlorophenoxy)ethyl]-N-methylacetamide has a molecular weight of 310.82 g/mol, XLogP of 2.70, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(aminomethyl)cyclobutyl]-N-[2-(4-chlorophenoxy)ethyl]-N-methylacetamide is sourced from PubChem (CID 81172510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).