2-[5-[(cyclopropylamino)methyl]-2-methoxyphenoxy]-N-ethylacetamide

C15H22N2O3 — CID 43278862

IUPAC2-[5-[(cyclopropylamino)methyl]-2-methoxyphenoxy]-N-ethylacetamide
SMILESCCNC(=O)COc1cc(CNC2CC2)ccc1OC
InChIInChI=1S/C15H22N2O3/c1-3-16-15(18)10-20-14-8-11(4-7-13(14)19-2)9-17-12-5-6-12/h4,7-8,12,17H,3,5-6,9-10H2,1-2H3,(H,16,18)
InChIKeyWODSDJIUUULGQU-UHFFFAOYSA-N
MW278.35 g/mol
LogP1.46
Rot. Bonds8

About 2-[5-[(cyclopropylamino)methyl]-2-methoxyphenoxy]-N-ethylacetamide

2-[5-[(cyclopropylamino)methyl]-2-methoxyphenoxy]-N-ethylacetamide (PubChem CID 43278862) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 2-[5-[(cyclopropylamino)methyl]-2-methoxyphenoxy]-N-ethylacetamide.

Molecular Properties

Compound Name2-[5-[(cyclopropylamino)methyl]-2-methoxyphenoxy]-N-ethylacetamide
PubChem CID43278862
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name2-[5-[(cyclopropylamino)methyl]-2-methoxyphenoxy]-N-ethylacetamide
SMILESCCNC(=O)COc1cc(CNC2CC2)ccc1OC
InChIInChI=1S/C15H22N2O3/c1-3-16-15(18)10-20-14-8-11(4-7-13(14)19-2)9-17-12-5-6-12/h4,7-8,12,17H,3,5-6,9-10H2,1-2H3,(H,16,18)
InChIKeyWODSDJIUUULGQU-UHFFFAOYSA-N
XLogP1.46
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[5-[(cyclopropylamino)methyl]-2-methoxyphenoxy]-N-prop-2-enylacetamide
CID 60882265
methyl 2-[4-[(cyclopropylamino)methyl]-2-methoxyphenoxy]acetate
CID 60881875
2-[4-[[[(3R)-3,4-dihydro-2H-chromen-3-yl]amino]methyl]-2-methoxyphenoxy]-N-ethylacetamide
CID 124683552
N-(cyclopropylmethyl)-2-[2-methoxy-5-(methylaminomethyl)phenoxy]acetamide
CID 43278722
N-[[3-(cyclopropylmethoxy)-4-methoxyphenyl]methyl]cyclopropanamine
CID 43560119
2-[5-(ethylaminomethyl)-2-methoxyphenoxy]-N-prop-2-ynylacetamide
CID 60882636
N-ethyl-2-[2-methoxy-4-[[(N'-methylcarbamimidoyl)amino]methyl]phenoxy]acetamide;hydroiodide
CID 110915872
2-[4-[(cyclopentylamino)methyl]-2-methoxyphenoxy]-N-(4-methylphenyl)acetamide
CID 17213450
N-ethyl-2-[2-methoxy-4-[[(3-methylcyclohexyl)methylamino]methyl]phenoxy]acetamide
CID 47628113
2-[4-[[[cyclobutyl(phenyl)methyl]amino]methyl]-2-methoxyphenoxy]-N-ethylacetamide
CID 119122063
4-[(4-ethoxy-3-methoxyphenyl)methylamino]cyclohexane-1-carboxylic acid
CID 120509717
2-[4-[[[(2R)-butan-2-yl]amino]methyl]-2-methoxyphenoxy]-N-ethylacetamide
CID 94458976

Frequently Asked Questions

What is the IUPAC name of 2-[5-[(cyclopropylamino)methyl]-2-methoxyphenoxy]-N-ethylacetamide?
The IUPAC name of 2-[5-[(cyclopropylamino)methyl]-2-methoxyphenoxy]-N-ethylacetamide (CID 43278862) is 2-[5-[(cyclopropylamino)methyl]-2-methoxyphenoxy]-N-ethylacetamide.
What is the SMILES notation for 2-[5-[(cyclopropylamino)methyl]-2-methoxyphenoxy]-N-ethylacetamide?
The canonical SMILES for 2-[5-[(cyclopropylamino)methyl]-2-methoxyphenoxy]-N-ethylacetamide is CCNC(=O)COc1cc(CNC2CC2)ccc1OC.
What is the InChIKey of 2-[5-[(cyclopropylamino)methyl]-2-methoxyphenoxy]-N-ethylacetamide?
The InChIKey is WODSDJIUUULGQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-3-16-15(18)10-20-14-8-11(4-7-13(14)19-2)9-17-12-5-6-12/h4,7-8,12,17H,3,5-6,9-10H2,1-2H3,(H,16,18).
What are the key properties of 2-[5-[(cyclopropylamino)methyl]-2-methoxyphenoxy]-N-ethylacetamide?
2-[5-[(cyclopropylamino)methyl]-2-methoxyphenoxy]-N-ethylacetamide has a molecular weight of 278.35 g/mol, XLogP of 1.46, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(cyclopropylamino)methyl]-2-methoxyphenoxy]-N-ethylacetamide is sourced from PubChem (CID 43278862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).