2-[2-(aminomethyl)-5-propoxyphenoxy]-N-cyclopropylpropanamide

C16H24N2O3 — CID 43472100

IUPAC2-[2-(aminomethyl)-5-propoxyphenoxy]-N-cyclopropylpropanamide
SMILESCCCOc1ccc(CN)c(OC(C)C(=O)NC2CC2)c1
InChIInChI=1S/C16H24N2O3/c1-3-8-20-14-7-4-12(10-17)15(9-14)21-11(2)16(19)18-13-5-6-13/h4,7,9,11,13H,3,5-6,8,10,17H2,1-2H3,(H,18,19)
InChIKeyPYFVVETYYQYINM-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.98
Rot. Bonds8

About 2-[2-(aminomethyl)-5-propoxyphenoxy]-N-cyclopropylpropanamide

2-[2-(aminomethyl)-5-propoxyphenoxy]-N-cyclopropylpropanamide (PubChem CID 43472100) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 2-[2-(aminomethyl)-5-propoxyphenoxy]-N-cyclopropylpropanamide.

Molecular Properties

Compound Name2-[2-(aminomethyl)-5-propoxyphenoxy]-N-cyclopropylpropanamide
PubChem CID43472100
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name2-[2-(aminomethyl)-5-propoxyphenoxy]-N-cyclopropylpropanamide
SMILESCCCOc1ccc(CN)c(OC(C)C(=O)NC2CC2)c1
InChIInChI=1S/C16H24N2O3/c1-3-8-20-14-7-4-12(10-17)15(9-14)21-11(2)16(19)18-13-5-6-13/h4,7,9,11,13H,3,5-6,8,10,17H2,1-2H3,(H,18,19)
InChIKeyPYFVVETYYQYINM-UHFFFAOYSA-N
XLogP1.98
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(aminomethyl)-5-propoxyphenoxy]-N-cyclopropylpropanamide?
The IUPAC name of 2-[2-(aminomethyl)-5-propoxyphenoxy]-N-cyclopropylpropanamide (CID 43472100) is 2-[2-(aminomethyl)-5-propoxyphenoxy]-N-cyclopropylpropanamide.
What is the SMILES notation for 2-[2-(aminomethyl)-5-propoxyphenoxy]-N-cyclopropylpropanamide?
The canonical SMILES for 2-[2-(aminomethyl)-5-propoxyphenoxy]-N-cyclopropylpropanamide is CCCOc1ccc(CN)c(OC(C)C(=O)NC2CC2)c1.
What is the InChIKey of 2-[2-(aminomethyl)-5-propoxyphenoxy]-N-cyclopropylpropanamide?
The InChIKey is PYFVVETYYQYINM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-3-8-20-14-7-4-12(10-17)15(9-14)21-11(2)16(19)18-13-5-6-13/h4,7,9,11,13H,3,5-6,8,10,17H2,1-2H3,(H,18,19).
What are the key properties of 2-[2-(aminomethyl)-5-propoxyphenoxy]-N-cyclopropylpropanamide?
2-[2-(aminomethyl)-5-propoxyphenoxy]-N-cyclopropylpropanamide has a molecular weight of 292.38 g/mol, XLogP of 1.98, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(aminomethyl)-5-propoxyphenoxy]-N-cyclopropylpropanamide is sourced from PubChem (CID 43472100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).