2-[2-[(cyclopropylamino)methyl]-6-ethoxyphenoxy]-N-ethylacetamide

C16H24N2O3 — CID 43279015

IUPAC2-[2-[(cyclopropylamino)methyl]-6-ethoxyphenoxy]-N-ethylacetamide
SMILESCCNC(=O)COc1c(CNC2CC2)cccc1OCC
InChIInChI=1S/C16H24N2O3/c1-3-17-15(19)11-21-16-12(10-18-13-8-9-13)6-5-7-14(16)20-4-2/h5-7,13,18H,3-4,8-11H2,1-2H3,(H,17,19)
InChIKeyYXYILSOKWUNJMP-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.85
Rot. Bonds9

About 2-[2-[(cyclopropylamino)methyl]-6-ethoxyphenoxy]-N-ethylacetamide

2-[2-[(cyclopropylamino)methyl]-6-ethoxyphenoxy]-N-ethylacetamide (PubChem CID 43279015) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 2-[2-[(cyclopropylamino)methyl]-6-ethoxyphenoxy]-N-ethylacetamide.

Molecular Properties

Compound Name2-[2-[(cyclopropylamino)methyl]-6-ethoxyphenoxy]-N-ethylacetamide
PubChem CID43279015
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name2-[2-[(cyclopropylamino)methyl]-6-ethoxyphenoxy]-N-ethylacetamide
SMILESCCNC(=O)COc1c(CNC2CC2)cccc1OCC
InChIInChI=1S/C16H24N2O3/c1-3-17-15(19)11-21-16-12(10-18-13-8-9-13)6-5-7-14(16)20-4-2/h5-7,13,18H,3-4,8-11H2,1-2H3,(H,17,19)
InChIKeyYXYILSOKWUNJMP-UHFFFAOYSA-N
XLogP1.85
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[(cyclopropylamino)methyl]-6-ethoxyphenoxy]propanamide
CID 43279005
N-[[3-ethoxy-2-(3-methylbut-3-enoxy)phenyl]methyl]cyclopropanamine
CID 114471447
4-[(3-ethoxy-2-methoxyphenyl)methylamino]cyclohexan-1-ol
CID 43220624
2-[2-chloro-6-[(cyclopropylamino)methyl]phenoxy]-N-prop-2-ynylacetamide
CID 115953715
2-[2-[(cyclopentylamino)methyl]-6-methoxyphenoxy]acetic acid
CID 102535746
2-[2-ethoxy-6-(ethylaminomethyl)phenoxy]acetic acid
CID 102535781
N-[(2-ethoxy-3-methoxyphenyl)methyl]cyclopentanamine
CID 4717334
N-tert-butyl-2-[2-[(cyclooctylamino)methyl]-6-methoxyphenoxy]acetamide
CID 17053479
4-[(2-ethoxyphenyl)methylamino]cyclohexane-1-carboxylic acid
CID 60809553
2-[2-ethoxy-6-(ethylaminomethyl)phenoxy]acetamide
CID 43278938
2-[2-chloro-6-[(cyclopropylamino)methyl]phenoxy]-N,N-dimethylacetamide
CID 112609936
2-[2-[(cyclooctylamino)methyl]-6-methoxyphenoxy]acetamide;hydrochloride
CID 17053366

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(cyclopropylamino)methyl]-6-ethoxyphenoxy]-N-ethylacetamide?
The IUPAC name of 2-[2-[(cyclopropylamino)methyl]-6-ethoxyphenoxy]-N-ethylacetamide (CID 43279015) is 2-[2-[(cyclopropylamino)methyl]-6-ethoxyphenoxy]-N-ethylacetamide.
What is the SMILES notation for 2-[2-[(cyclopropylamino)methyl]-6-ethoxyphenoxy]-N-ethylacetamide?
The canonical SMILES for 2-[2-[(cyclopropylamino)methyl]-6-ethoxyphenoxy]-N-ethylacetamide is CCNC(=O)COc1c(CNC2CC2)cccc1OCC.
What is the InChIKey of 2-[2-[(cyclopropylamino)methyl]-6-ethoxyphenoxy]-N-ethylacetamide?
The InChIKey is YXYILSOKWUNJMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-3-17-15(19)11-21-16-12(10-18-13-8-9-13)6-5-7-14(16)20-4-2/h5-7,13,18H,3-4,8-11H2,1-2H3,(H,17,19).
What are the key properties of 2-[2-[(cyclopropylamino)methyl]-6-ethoxyphenoxy]-N-ethylacetamide?
2-[2-[(cyclopropylamino)methyl]-6-ethoxyphenoxy]-N-ethylacetamide has a molecular weight of 292.38 g/mol, XLogP of 1.85, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(cyclopropylamino)methyl]-6-ethoxyphenoxy]-N-ethylacetamide is sourced from PubChem (CID 43279015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).