2-[5-(ethylaminomethyl)-2-methoxyphenoxy]-N-prop-2-ynylacetamide

C15H20N2O3 — CID 60882636

IUPAC2-[5-(ethylaminomethyl)-2-methoxyphenoxy]-N-prop-2-ynylacetamide
SMILESC#CCNC(=O)COc1cc(CNCC)ccc1OC
InChIInChI=1S/C15H20N2O3/c1-4-8-17-15(18)11-20-14-9-12(10-16-5-2)6-7-13(14)19-3/h1,6-7,9,16H,5,8,10-11H2,2-3H3,(H,17,18)
InChIKeyWKHBJDLBJWKJFY-UHFFFAOYSA-N
MW276.34 g/mol
LogP0.93
Rot. Bonds8

About 2-[5-(ethylaminomethyl)-2-methoxyphenoxy]-N-prop-2-ynylacetamide

2-[5-(ethylaminomethyl)-2-methoxyphenoxy]-N-prop-2-ynylacetamide (PubChem CID 60882636) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 2-[5-(ethylaminomethyl)-2-methoxyphenoxy]-N-prop-2-ynylacetamide.

Molecular Properties

Compound Name2-[5-(ethylaminomethyl)-2-methoxyphenoxy]-N-prop-2-ynylacetamide
PubChem CID60882636
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name2-[5-(ethylaminomethyl)-2-methoxyphenoxy]-N-prop-2-ynylacetamide
SMILESC#CCNC(=O)COc1cc(CNCC)ccc1OC
InChIInChI=1S/C15H20N2O3/c1-4-8-17-15(18)11-20-14-9-12(10-16-5-2)6-7-13(14)19-3/h1,6-7,9,16H,5,8,10-11H2,2-3H3,(H,17,18)
InChIKeyWKHBJDLBJWKJFY-UHFFFAOYSA-N
XLogP0.93
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2-methoxy-4-[(propan-2-ylamino)methyl]phenoxy]-N-prop-2-ynylacetamide
CID 60882437
2-[5-(ethylaminomethyl)-2-methoxyphenoxy]-N-propan-2-ylacetamide
CID 43278767
2-[2-methoxy-4-[(prop-2-ynylamino)methyl]phenoxy]acetamide
CID 94074154
N,N-diethyl-2-[5-(ethylaminomethyl)-2-methoxyphenoxy]acetamide
CID 43278782
N-[(3-ethoxy-4-methoxyphenyl)methyl]ethanamine
CID 4717500
2-[5-[(cyclopropylamino)methyl]-2-methoxyphenoxy]-N-ethylacetamide
CID 43278862
N-[(3,4-dimethoxyphenyl)methyl]-2-(2-methoxyphenoxy)acetamide
CID 7928589
N-butyl-2-[2-methoxy-5-(methylaminomethyl)phenoxy]acetamide
CID 61485632
methyl 3-[5-(ethylaminomethyl)-2-methoxyphenoxy]propanoate
CID 63950104
N-carbamoyl-2-[2-ethoxy-4-(ethylaminomethyl)phenoxy]acetamide
CID 43278167
2-[2-methoxy-5-(propylaminomethyl)phenoxy]-N-propan-2-ylacetamide
CID 43278803
2-[4-[(tert-butylamino)methyl]-2-fluorophenoxy]-N-prop-2-ynylacetamide
CID 107688451

Frequently Asked Questions

What is the IUPAC name of 2-[5-(ethylaminomethyl)-2-methoxyphenoxy]-N-prop-2-ynylacetamide?
The IUPAC name of 2-[5-(ethylaminomethyl)-2-methoxyphenoxy]-N-prop-2-ynylacetamide (CID 60882636) is 2-[5-(ethylaminomethyl)-2-methoxyphenoxy]-N-prop-2-ynylacetamide.
What is the SMILES notation for 2-[5-(ethylaminomethyl)-2-methoxyphenoxy]-N-prop-2-ynylacetamide?
The canonical SMILES for 2-[5-(ethylaminomethyl)-2-methoxyphenoxy]-N-prop-2-ynylacetamide is C#CCNC(=O)COc1cc(CNCC)ccc1OC.
What is the InChIKey of 2-[5-(ethylaminomethyl)-2-methoxyphenoxy]-N-prop-2-ynylacetamide?
The InChIKey is WKHBJDLBJWKJFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-4-8-17-15(18)11-20-14-9-12(10-16-5-2)6-7-13(14)19-3/h1,6-7,9,16H,5,8,10-11H2,2-3H3,(H,17,18).
What are the key properties of 2-[5-(ethylaminomethyl)-2-methoxyphenoxy]-N-prop-2-ynylacetamide?
2-[5-(ethylaminomethyl)-2-methoxyphenoxy]-N-prop-2-ynylacetamide has a molecular weight of 276.34 g/mol, XLogP of 0.93, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(ethylaminomethyl)-2-methoxyphenoxy]-N-prop-2-ynylacetamide is sourced from PubChem (CID 60882636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).