2-[4-(2-aminoethyl)-2-ethoxyphenoxy]-N-cyclopropyl-N-methylacetamide

C16H24N2O3 — CID 61489590

IUPAC2-[4-(2-aminoethyl)-2-ethoxyphenoxy]-N-cyclopropyl-N-methylacetamide
SMILESCCOc1cc(CCN)ccc1OCC(=O)N(C)C1CC1
InChIInChI=1S/C16H24N2O3/c1-3-20-15-10-12(8-9-17)4-7-14(15)21-11-16(19)18(2)13-5-6-13/h4,7,10,13H,3,5-6,8-9,11,17H2,1-2H3
InChIKeyMVEPUJTXNUYBCR-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.59
Rot. Bonds8

About 2-[4-(2-aminoethyl)-2-ethoxyphenoxy]-N-cyclopropyl-N-methylacetamide

2-[4-(2-aminoethyl)-2-ethoxyphenoxy]-N-cyclopropyl-N-methylacetamide (PubChem CID 61489590) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 2-[4-(2-aminoethyl)-2-ethoxyphenoxy]-N-cyclopropyl-N-methylacetamide.

Molecular Properties

Compound Name2-[4-(2-aminoethyl)-2-ethoxyphenoxy]-N-cyclopropyl-N-methylacetamide
PubChem CID61489590
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name2-[4-(2-aminoethyl)-2-ethoxyphenoxy]-N-cyclopropyl-N-methylacetamide
SMILESCCOc1cc(CCN)ccc1OCC(=O)N(C)C1CC1
InChIInChI=1S/C16H24N2O3/c1-3-20-15-10-12(8-9-17)4-7-14(15)21-11-16(19)18(2)13-5-6-13/h4,7,10,13H,3,5-6,8-9,11,17H2,1-2H3
InChIKeyMVEPUJTXNUYBCR-UHFFFAOYSA-N
XLogP1.59
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(2-aminoethyl)-2-ethoxyphenoxy]-N-ethyl-N-methylacetamide
CID 60906427
2-[4-(2-aminoethyl)-2-ethoxyphenoxy]-N-methyl-N-propan-2-ylacetamide
CID 60905074
2-[4-(2-aminoethyl)-2-methoxyphenoxy]-N-cyclopropyl-N-ethylacetamide
CID 61488503
2-[2-(2-aminoethyl)-4-fluorophenoxy]-N-cyclopropyl-N-methylacetamide
CID 107699900
2-[4-(2-aminoethyl)-2-ethoxyphenoxy]-N-methylacetamide
CID 54931035
2-[4-(aminomethyl)-2-bromo-6-ethoxyphenoxy]-N-cyclopropyl-N-methylacetamide
CID 61488931
2-[5-(2-aminoethyl)-2-methoxyphenoxy]-N-ethyl-N-methylacetamide
CID 54930640
2-(2-amino-4-chlorophenoxy)-N-cyclopropyl-N-methylacetamide
CID 54956878
2-[4-(2-aminoethyl)-2-ethoxyphenoxy]-N-butylacetamide
CID 61485578
2-[2-(aminomethyl)-5-chlorophenoxy]-N-cyclopropyl-N-methylacetamide
CID 113277202
2-[2-(2-aminoethyl)-6-fluorophenoxy]-N-cyclopropyl-N-methylacetamide
CID 112615213
2-[5-(aminomethyl)-2-methoxyphenoxy]-N-cyclopropyl-N-ethylacetamide
CID 61488291

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-aminoethyl)-2-ethoxyphenoxy]-N-cyclopropyl-N-methylacetamide?
The IUPAC name of 2-[4-(2-aminoethyl)-2-ethoxyphenoxy]-N-cyclopropyl-N-methylacetamide (CID 61489590) is 2-[4-(2-aminoethyl)-2-ethoxyphenoxy]-N-cyclopropyl-N-methylacetamide.
What is the SMILES notation for 2-[4-(2-aminoethyl)-2-ethoxyphenoxy]-N-cyclopropyl-N-methylacetamide?
The canonical SMILES for 2-[4-(2-aminoethyl)-2-ethoxyphenoxy]-N-cyclopropyl-N-methylacetamide is CCOc1cc(CCN)ccc1OCC(=O)N(C)C1CC1.
What is the InChIKey of 2-[4-(2-aminoethyl)-2-ethoxyphenoxy]-N-cyclopropyl-N-methylacetamide?
The InChIKey is MVEPUJTXNUYBCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-3-20-15-10-12(8-9-17)4-7-14(15)21-11-16(19)18(2)13-5-6-13/h4,7,10,13H,3,5-6,8-9,11,17H2,1-2H3.
What are the key properties of 2-[4-(2-aminoethyl)-2-ethoxyphenoxy]-N-cyclopropyl-N-methylacetamide?
2-[4-(2-aminoethyl)-2-ethoxyphenoxy]-N-cyclopropyl-N-methylacetamide has a molecular weight of 292.38 g/mol, XLogP of 1.59, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-aminoethyl)-2-ethoxyphenoxy]-N-cyclopropyl-N-methylacetamide is sourced from PubChem (CID 61489590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).