2-[2-ethoxy-4-(ethylaminomethyl)phenoxy]-N-propan-2-ylacetamide

C16H26N2O3 — CID 43278166

IUPAC2-[2-ethoxy-4-(ethylaminomethyl)phenoxy]-N-propan-2-ylacetamide
SMILESCCNCc1ccc(OCC(=O)NC(C)C)c(OCC)c1
InChIInChI=1S/C16H26N2O3/c1-5-17-10-13-7-8-14(15(9-13)20-6-2)21-11-16(19)18-12(3)4/h7-9,12,17H,5-6,10-11H2,1-4H3,(H,18,19)
InChIKeyNMELHAIDJIBDLF-UHFFFAOYSA-N
MW294.40 g/mol
LogP2.10
Rot. Bonds9

About 2-[2-ethoxy-4-(ethylaminomethyl)phenoxy]-N-propan-2-ylacetamide

2-[2-ethoxy-4-(ethylaminomethyl)phenoxy]-N-propan-2-ylacetamide (PubChem CID 43278166) has the molecular formula C16H26N2O3 and a molecular weight of 294.40 g/mol. Its IUPAC name is 2-[2-ethoxy-4-(ethylaminomethyl)phenoxy]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[2-ethoxy-4-(ethylaminomethyl)phenoxy]-N-propan-2-ylacetamide
PubChem CID43278166
Molecular FormulaC16H26N2O3
Molecular Weight294.40 g/mol
Exact Mass294.19
IUPAC Name2-[2-ethoxy-4-(ethylaminomethyl)phenoxy]-N-propan-2-ylacetamide
SMILESCCNCc1ccc(OCC(=O)NC(C)C)c(OCC)c1
InChIInChI=1S/C16H26N2O3/c1-5-17-10-13-7-8-14(15(9-13)20-6-2)21-11-16(19)18-12(3)4/h7-9,12,17H,5-6,10-11H2,1-4H3,(H,18,19)
InChIKeyNMELHAIDJIBDLF-UHFFFAOYSA-N
XLogP2.10
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[5-(ethylaminomethyl)-2-methoxyphenoxy]-N-propan-2-ylacetamide
CID 43278767
N-carbamoyl-2-[2-ethoxy-4-(ethylaminomethyl)phenoxy]acetamide
CID 43278167
2-[2-methoxy-5-(propylaminomethyl)phenoxy]-N-propan-2-ylacetamide
CID 43278803
2-[2-methoxy-5-(methylaminomethyl)phenoxy]-N-propan-2-ylacetamide
CID 43278726
N-tert-butyl-2-[2-ethoxy-4-[(2-methylpropylamino)methyl]phenoxy]acetamide
CID 4717022
3-[2-ethoxy-4-(ethylaminomethyl)phenoxy]-2-methylpropanamide
CID 43311896
2-[2-fluoro-4-(propylaminomethyl)phenoxy]-N-propan-2-ylacetamide
CID 107687356
3-[(3-ethoxy-4-hydroxyphenyl)methylamino]-N-propan-2-ylpropanamide
CID 115581391
N-[(3-ethoxy-4-methoxyphenyl)methyl]ethanamine
CID 4717500
2-[4-[(3,3-dimethylbutan-2-ylamino)methyl]-2-ethoxyphenoxy]-N-(1-phenylethyl)acetamide;hydrochloride
CID 90483170
N-tert-butyl-2-[2-ethoxy-4-(propylaminomethyl)phenoxy]acetamide;hydrochloride
CID 17290931
2-[2-fluoro-4-(methylaminomethyl)phenoxy]-N-propan-2-ylacetamide
CID 107686749

Frequently Asked Questions

What is the IUPAC name of 2-[2-ethoxy-4-(ethylaminomethyl)phenoxy]-N-propan-2-ylacetamide?
The IUPAC name of 2-[2-ethoxy-4-(ethylaminomethyl)phenoxy]-N-propan-2-ylacetamide (CID 43278166) is 2-[2-ethoxy-4-(ethylaminomethyl)phenoxy]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[2-ethoxy-4-(ethylaminomethyl)phenoxy]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[2-ethoxy-4-(ethylaminomethyl)phenoxy]-N-propan-2-ylacetamide is CCNCc1ccc(OCC(=O)NC(C)C)c(OCC)c1.
What is the InChIKey of 2-[2-ethoxy-4-(ethylaminomethyl)phenoxy]-N-propan-2-ylacetamide?
The InChIKey is NMELHAIDJIBDLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3/c1-5-17-10-13-7-8-14(15(9-13)20-6-2)21-11-16(19)18-12(3)4/h7-9,12,17H,5-6,10-11H2,1-4H3,(H,18,19).
What are the key properties of 2-[2-ethoxy-4-(ethylaminomethyl)phenoxy]-N-propan-2-ylacetamide?
2-[2-ethoxy-4-(ethylaminomethyl)phenoxy]-N-propan-2-ylacetamide has a molecular weight of 294.40 g/mol, XLogP of 2.10, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-ethoxy-4-(ethylaminomethyl)phenoxy]-N-propan-2-ylacetamide is sourced from PubChem (CID 43278166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).