2-[2-[(2-methoxyethylamino)methyl]-4-methylphenoxy]-N-prop-2-enylacetamide

C16H24N2O3 — CID 63324753

IUPAC2-[2-[(2-methoxyethylamino)methyl]-4-methylphenoxy]-N-prop-2-enylacetamide
SMILESC=CCNC(=O)COc1ccc(C)cc1CNCCOC
InChIInChI=1S/C16H24N2O3/c1-4-7-18-16(19)12-21-15-6-5-13(2)10-14(15)11-17-8-9-20-3/h4-6,10,17H,1,7-9,11-12H2,2-3H3,(H,18,19)
InChIKeyIUHXRQORURLQQB-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.41
Rot. Bonds10

About 2-[2-[(2-methoxyethylamino)methyl]-4-methylphenoxy]-N-prop-2-enylacetamide

2-[2-[(2-methoxyethylamino)methyl]-4-methylphenoxy]-N-prop-2-enylacetamide (PubChem CID 63324753) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 2-[2-[(2-methoxyethylamino)methyl]-4-methylphenoxy]-N-prop-2-enylacetamide.

Molecular Properties

Compound Name2-[2-[(2-methoxyethylamino)methyl]-4-methylphenoxy]-N-prop-2-enylacetamide
PubChem CID63324753
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name2-[2-[(2-methoxyethylamino)methyl]-4-methylphenoxy]-N-prop-2-enylacetamide
SMILESC=CCNC(=O)COc1ccc(C)cc1CNCCOC
InChIInChI=1S/C16H24N2O3/c1-4-7-18-16(19)12-21-15-6-5-13(2)10-14(15)11-17-8-9-20-3/h4-6,10,17H,1,7-9,11-12H2,2-3H3,(H,18,19)
InChIKeyIUHXRQORURLQQB-UHFFFAOYSA-N
XLogP1.41
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[4-bromo-2-[(2-methoxyethylamino)methyl]phenoxy]-N-prop-2-enylacetamide
CID 63058368
N-carbamoyl-2-[2-[(2-methoxyethylamino)methyl]-4-methylphenoxy]acetamide
CID 63324892
propan-2-yl 2-[2-[(2-methoxyethylamino)methyl]-4-methylphenoxy]acetate
CID 63324667
2-[2-bromo-6-[(2-methoxyethylamino)methyl]phenoxy]-N-prop-2-enylacetamide
CID 63060124
methyl 4-[2-[(2-methoxyethylamino)methyl]-4-methylphenoxy]butanoate
CID 63324887
2-[4-chloro-2-(methylaminomethyl)phenoxy]-N-prop-2-enylacetamide
CID 60881072
2-[2-[(1S)-1-aminoethyl]-4-methylphenoxy]-N-prop-2-enylacetamide
CID 55188483
2-[2-(ethylaminomethyl)-4-methoxyphenoxy]-N-(2-methoxyethyl)acetamide
CID 61487646
2-[2-(ethylaminomethyl)-5-methoxyphenoxy]-N-prop-2-enylacetamide
CID 61269643
2-[4-bromo-2-[(2-methoxyethylamino)methyl]phenoxy]-N-carbamoylacetamide
CID 63056501
2-[4-bromo-2-[(2-methoxyethylamino)methyl]phenoxy]-N-tert-butylacetamide
CID 17053957
2-[4-bromo-2-[(2-methoxyethylamino)methyl]phenoxy]-N-propan-2-ylacetamide
CID 63056502

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2-methoxyethylamino)methyl]-4-methylphenoxy]-N-prop-2-enylacetamide?
The IUPAC name of 2-[2-[(2-methoxyethylamino)methyl]-4-methylphenoxy]-N-prop-2-enylacetamide (CID 63324753) is 2-[2-[(2-methoxyethylamino)methyl]-4-methylphenoxy]-N-prop-2-enylacetamide.
What is the SMILES notation for 2-[2-[(2-methoxyethylamino)methyl]-4-methylphenoxy]-N-prop-2-enylacetamide?
The canonical SMILES for 2-[2-[(2-methoxyethylamino)methyl]-4-methylphenoxy]-N-prop-2-enylacetamide is C=CCNC(=O)COc1ccc(C)cc1CNCCOC.
What is the InChIKey of 2-[2-[(2-methoxyethylamino)methyl]-4-methylphenoxy]-N-prop-2-enylacetamide?
The InChIKey is IUHXRQORURLQQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-4-7-18-16(19)12-21-15-6-5-13(2)10-14(15)11-17-8-9-20-3/h4-6,10,17H,1,7-9,11-12H2,2-3H3,(H,18,19).
What are the key properties of 2-[2-[(2-methoxyethylamino)methyl]-4-methylphenoxy]-N-prop-2-enylacetamide?
2-[2-[(2-methoxyethylamino)methyl]-4-methylphenoxy]-N-prop-2-enylacetamide has a molecular weight of 292.38 g/mol, XLogP of 1.41, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2-methoxyethylamino)methyl]-4-methylphenoxy]-N-prop-2-enylacetamide is sourced from PubChem (CID 63324753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).