2-[2-(methylaminomethyl)-5-propoxyphenoxy]-N-prop-2-enylacetamide

C16H24N2O3 — CID 60889184

IUPAC2-[2-(methylaminomethyl)-5-propoxyphenoxy]-N-prop-2-enylacetamide
SMILESC=CCNC(=O)COc1cc(OCCC)ccc1CNC
InChIInChI=1S/C16H24N2O3/c1-4-8-18-16(19)12-21-15-10-14(20-9-5-2)7-6-13(15)11-17-3/h4,6-7,10,17H,1,5,8-9,11-12H2,2-3H3,(H,18,19)
InChIKeyUIHHWOJYECIMKQ-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.88
Rot. Bonds10

About 2-[2-(methylaminomethyl)-5-propoxyphenoxy]-N-prop-2-enylacetamide

2-[2-(methylaminomethyl)-5-propoxyphenoxy]-N-prop-2-enylacetamide (PubChem CID 60889184) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 2-[2-(methylaminomethyl)-5-propoxyphenoxy]-N-prop-2-enylacetamide.

Molecular Properties

Compound Name2-[2-(methylaminomethyl)-5-propoxyphenoxy]-N-prop-2-enylacetamide
PubChem CID60889184
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name2-[2-(methylaminomethyl)-5-propoxyphenoxy]-N-prop-2-enylacetamide
SMILESC=CCNC(=O)COc1cc(OCCC)ccc1CNC
InChIInChI=1S/C16H24N2O3/c1-4-8-18-16(19)12-21-15-10-14(20-9-5-2)7-6-13(15)11-17-3/h4,6-7,10,17H,1,5,8-9,11-12H2,2-3H3,(H,18,19)
InChIKeyUIHHWOJYECIMKQ-UHFFFAOYSA-N
XLogP1.88
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 ≤ 51.88
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-[2-(ethylaminomethyl)-5-methoxyphenoxy]-N-prop-2-enylacetamide
CID 61269643
2-[2-(hydroxymethyl)-5-propoxyphenoxy]-N-methylacetamide
CID 43472225
2-[4-chloro-2-(methylaminomethyl)phenoxy]-N-prop-2-enylacetamide
CID 60881072
1-(2-methoxy-4-propoxyphenyl)-N-methylmethanamine
CID 43472287
N-(2-methoxyethyl)-2-[5-methoxy-2-(methylaminomethyl)phenoxy]acetamide
CID 61487286
1-[2-(3-ethoxypropoxy)-4-propoxyphenyl]-N-methylmethanamine
CID 65176070
2-[2-(2-aminoethyl)-5-propoxyphenoxy]-N-(cyanomethyl)acetamide
CID 60905856
2-[5-methoxy-2-(methylaminomethyl)phenoxy]-N-(3-methoxypropyl)acetamide
CID 61486430
2-[2-fluoro-4-(methylaminomethyl)phenoxy]-N-prop-2-enylacetamide
CID 107686453
N-ethyl-2-(2-formyl-5-propoxyphenoxy)acetamide
CID 43388307
2-methyl-N-[(2-prop-2-enoxy-4-propoxyphenyl)methyl]propan-2-amine
CID 63062650
2,2-dimethyl-4-[2-(methylaminomethyl)-5-propoxyphenoxy]butanenitrile
CID 65247087

Frequently Asked Questions

What is the IUPAC name of 2-[2-(methylaminomethyl)-5-propoxyphenoxy]-N-prop-2-enylacetamide?
The IUPAC name of 2-[2-(methylaminomethyl)-5-propoxyphenoxy]-N-prop-2-enylacetamide (CID 60889184) is 2-[2-(methylaminomethyl)-5-propoxyphenoxy]-N-prop-2-enylacetamide.
What is the SMILES notation for 2-[2-(methylaminomethyl)-5-propoxyphenoxy]-N-prop-2-enylacetamide?
The canonical SMILES for 2-[2-(methylaminomethyl)-5-propoxyphenoxy]-N-prop-2-enylacetamide is C=CCNC(=O)COc1cc(OCCC)ccc1CNC.
What is the InChIKey of 2-[2-(methylaminomethyl)-5-propoxyphenoxy]-N-prop-2-enylacetamide?
The InChIKey is UIHHWOJYECIMKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-4-8-18-16(19)12-21-15-10-14(20-9-5-2)7-6-13(15)11-17-3/h4,6-7,10,17H,1,5,8-9,11-12H2,2-3H3,(H,18,19).
What are the key properties of 2-[2-(methylaminomethyl)-5-propoxyphenoxy]-N-prop-2-enylacetamide?
2-[2-(methylaminomethyl)-5-propoxyphenoxy]-N-prop-2-enylacetamide has a molecular weight of 292.38 g/mol, XLogP of 1.88, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(methylaminomethyl)-5-propoxyphenoxy]-N-prop-2-enylacetamide is sourced from PubChem (CID 60889184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).