2-[5-[(cyclopropylamino)methyl]-2-methoxyphenoxy]-N-prop-2-enylacetamide

C16H22N2O3 — CID 60882265

IUPAC2-[5-[(cyclopropylamino)methyl]-2-methoxyphenoxy]-N-prop-2-enylacetamide
SMILESC=CCNC(=O)COc1cc(CNC2CC2)ccc1OC
InChIInChI=1S/C16H22N2O3/c1-3-8-17-16(19)11-21-15-9-12(4-7-14(15)20-2)10-18-13-5-6-13/h3-4,7,9,13,18H,1,5-6,8,10-11H2,2H3,(H,17,19)
InChIKeyINDXERJESMYXEU-UHFFFAOYSA-N
MW290.36 g/mol
LogP1.63
Rot. Bonds9

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

2-[5-[(cyclopropylamino)methyl]-2-methoxyphenoxy]-N-prop-2-enylacetamide (PubChem CID 60882265) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 2-[5-[(cyclopropylamino)methyl]-2-methoxyphenoxy]-N-prop-2-enylacetamide.

Molecular Properties

Compound Name2-[5-[(cyclopropylamino)methyl]-2-methoxyphenoxy]-N-prop-2-enylacetamide
PubChem CID60882265
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name2-[5-[(cyclopropylamino)methyl]-2-methoxyphenoxy]-N-prop-2-enylacetamide
SMILESC=CCNC(=O)COc1cc(CNC2CC2)ccc1OC
InChIInChI=1S/C16H22N2O3/c1-3-8-17-16(19)11-21-15-9-12(4-7-14(15)20-2)10-18-13-5-6-13/h3-4,7,9,13,18H,1,5-6,8,10-11H2,2H3,(H,17,19)
InChIKeyINDXERJESMYXEU-UHFFFAOYSA-N
XLogP1.63
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-[5-[(cyclopropylamino)methyl]-2-methoxyphenoxy]-N-ethylacetamide
CID 43278862
methyl 2-[4-[(cyclopropylamino)methyl]-2-methoxyphenoxy]acetate
CID 60881875
2-[[2-[(cyclopropylamino)methyl]-6-methyl-3-pyridinyl]oxy]-N-prop-2-enylacetamide
CID 79158298
2-[4-[(cyclopropylamino)methyl]-2,6-difluorophenoxy]-N-prop-2-enylacetamide
CID 79883466
N-(cyclopropylmethyl)-2-[2-methoxy-5-(methylaminomethyl)phenoxy]acetamide
CID 43278722
2-[4-[(cyclopentylamino)methyl]-2-methoxyphenoxy]-N-(4-methylphenyl)acetamide
CID 17213450
N-[[3-(cyclopropylmethoxy)-4-methoxyphenyl]methyl]cyclopropanamine
CID 43560119
2-(4-acetyl-2-methoxyphenoxy)-N-prop-2-enylacetamide
CID 24708758
N-[[3-[3-(dimethylamino)propoxy]-4-methoxyphenyl]methyl]cyclopropanamine
CID 114524710
N-[(3-methoxy-4-prop-2-enoxyphenyl)methyl]cycloheptanamine
CID 4721038
2-[2-fluoro-4-(methylaminomethyl)phenoxy]-N-prop-2-enylacetamide
CID 107686453
4-[(4-methoxy-3-phenylmethoxyphenyl)methylamino]cyclohexane-1-carboxylic acid
CID 120509612

Frequently Asked Questions

What is the IUPAC name of 2-[5-[(cyclopropylamino)methyl]-2-methoxyphenoxy]-N-prop-2-enylacetamide?
The IUPAC name of 2-[5-[(cyclopropylamino)methyl]-2-methoxyphenoxy]-N-prop-2-enylacetamide (CID 60882265) is 2-[5-[(cyclopropylamino)methyl]-2-methoxyphenoxy]-N-prop-2-enylacetamide.
What is the SMILES notation for 2-[5-[(cyclopropylamino)methyl]-2-methoxyphenoxy]-N-prop-2-enylacetamide?
The canonical SMILES for 2-[5-[(cyclopropylamino)methyl]-2-methoxyphenoxy]-N-prop-2-enylacetamide is C=CCNC(=O)COc1cc(CNC2CC2)ccc1OC.
What is the InChIKey of 2-[5-[(cyclopropylamino)methyl]-2-methoxyphenoxy]-N-prop-2-enylacetamide?
The InChIKey is INDXERJESMYXEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-3-8-17-16(19)11-21-15-9-12(4-7-14(15)20-2)10-18-13-5-6-13/h3-4,7,9,13,18H,1,5-6,8,10-11H2,2H3,(H,17,19).
What are the key properties of 2-[5-[(cyclopropylamino)methyl]-2-methoxyphenoxy]-N-prop-2-enylacetamide?
2-[5-[(cyclopropylamino)methyl]-2-methoxyphenoxy]-N-prop-2-enylacetamide has a molecular weight of 290.36 g/mol, XLogP of 1.63, 9 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-prop-2-enylacetamide is sourced from PubChem (CID 60882265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).