2-[4-[(cyclopropylamino)methyl]-2,6-dimethylphenoxy]-N-propylacetamide

C17H26N2O2 — CID 43276832

IUPAC2-[4-[(cyclopropylamino)methyl]-2,6-dimethylphenoxy]-N-propylacetamide
SMILESCCCNC(=O)COc1c(C)cc(CNC2CC2)cc1C
InChIInChI=1S/C17H26N2O2/c1-4-7-18-16(20)11-21-17-12(2)8-14(9-13(17)3)10-19-15-5-6-15/h8-9,15,19H,4-7,10-11H2,1-3H3,(H,18,20)
InChIKeyXASPTIMVKPGDGW-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.46
Rot. Bonds8

About 2-[4-[(cyclopropylamino)methyl]-2,6-dimethylphenoxy]-N-propylacetamide

2-[4-[(cyclopropylamino)methyl]-2,6-dimethylphenoxy]-N-propylacetamide (PubChem CID 43276832) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 2-[4-[(cyclopropylamino)methyl]-2,6-dimethylphenoxy]-N-propylacetamide.

Molecular Properties

Compound Name2-[4-[(cyclopropylamino)methyl]-2,6-dimethylphenoxy]-N-propylacetamide
PubChem CID43276832
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name2-[4-[(cyclopropylamino)methyl]-2,6-dimethylphenoxy]-N-propylacetamide
SMILESCCCNC(=O)COc1c(C)cc(CNC2CC2)cc1C
InChIInChI=1S/C17H26N2O2/c1-4-7-18-16(20)11-21-17-12(2)8-14(9-13(17)3)10-19-15-5-6-15/h8-9,15,19H,4-7,10-11H2,1-3H3,(H,18,20)
InChIKeyXASPTIMVKPGDGW-UHFFFAOYSA-N
XLogP2.46
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[4-[(cyclopropylamino)methyl]-2,6-dimethylphenoxy]acetate
CID 60880238
N-cyclopropyl-2-[2,6-dimethyl-4-(propylaminomethyl)phenoxy]acetamide
CID 43276771
N-[[4-(2-methoxyethoxy)-3,5-dimethylphenyl]methyl]cyclopropanamine
CID 43276814
methyl 4-[4-[(cyclopropylamino)methyl]-2,6-dimethylphenoxy]butanoate
CID 60880078
2-[[2-[(cyclopropylamino)methyl]-6-methyl-3-pyridinyl]oxy]-N-propylacetamide
CID 79158938
N-[[3,5-dimethyl-4-(2-methylpropoxy)phenyl]methyl]cyclopropanamine
CID 43276817
2-[2,6-dimethyl-4-(methylaminomethyl)phenoxy]-N-(3-methylbutyl)acetamide
CID 61486806
N-[[4-(cyclobutylmethoxy)-3,5-dimethylphenyl]methyl]cyclopropanamine
CID 65459145
methyl 2-[4-[[(3-carbamoylcyclohexyl)amino]methyl]-2,6-dimethylphenoxy]acetate
CID 119137541
1-[4-[(cyclopropylamino)methyl]-2,6-dimethylphenoxy]-3-methoxypropan-2-ol
CID 63928973
N-cyclopropyl-2-[4-[(cyclopropylamino)methyl]-2,6-difluorophenoxy]acetamide
CID 79883438
ethyl 2-[2,6-dibromo-4-[(cyclopropylamino)methyl]phenoxy]acetate
CID 107743418

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(cyclopropylamino)methyl]-2,6-dimethylphenoxy]-N-propylacetamide?
The IUPAC name of 2-[4-[(cyclopropylamino)methyl]-2,6-dimethylphenoxy]-N-propylacetamide (CID 43276832) is 2-[4-[(cyclopropylamino)methyl]-2,6-dimethylphenoxy]-N-propylacetamide.
What is the SMILES notation for 2-[4-[(cyclopropylamino)methyl]-2,6-dimethylphenoxy]-N-propylacetamide?
The canonical SMILES for 2-[4-[(cyclopropylamino)methyl]-2,6-dimethylphenoxy]-N-propylacetamide is CCCNC(=O)COc1c(C)cc(CNC2CC2)cc1C.
What is the InChIKey of 2-[4-[(cyclopropylamino)methyl]-2,6-dimethylphenoxy]-N-propylacetamide?
The InChIKey is XASPTIMVKPGDGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-4-7-18-16(20)11-21-17-12(2)8-14(9-13(17)3)10-19-15-5-6-15/h8-9,15,19H,4-7,10-11H2,1-3H3,(H,18,20).
What are the key properties of 2-[4-[(cyclopropylamino)methyl]-2,6-dimethylphenoxy]-N-propylacetamide?
2-[4-[(cyclopropylamino)methyl]-2,6-dimethylphenoxy]-N-propylacetamide has a molecular weight of 290.41 g/mol, XLogP of 2.46, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(cyclopropylamino)methyl]-2,6-dimethylphenoxy]-N-propylacetamide is sourced from PubChem (CID 43276832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).