2-[2-(2-aminobutyl)-6-methoxyphenoxy]-N-propylacetamide

C16H26N2O3 — CID 60906912

IUPAC2-[2-(2-aminobutyl)-6-methoxyphenoxy]-N-propylacetamide
SMILESCCCNC(=O)COc1c(CC(N)CC)cccc1OC
InChIInChI=1S/C16H26N2O3/c1-4-9-18-15(19)11-21-16-12(10-13(17)5-2)7-6-8-14(16)20-3/h6-8,13H,4-5,9-11,17H2,1-3H3,(H,18,19)
InChIKeyNEMLEYFVQFZWDO-UHFFFAOYSA-N
MW294.40 g/mol
LogP1.88
Rot. Bonds9

About 2-[2-(2-aminobutyl)-6-methoxyphenoxy]-N-propylacetamide

2-[2-(2-aminobutyl)-6-methoxyphenoxy]-N-propylacetamide (PubChem CID 60906912) has the molecular formula C16H26N2O3 and a molecular weight of 294.40 g/mol. Its IUPAC name is 2-[2-(2-aminobutyl)-6-methoxyphenoxy]-N-propylacetamide.

Molecular Properties

Compound Name2-[2-(2-aminobutyl)-6-methoxyphenoxy]-N-propylacetamide
PubChem CID60906912
Molecular FormulaC16H26N2O3
Molecular Weight294.40 g/mol
Exact Mass294.19
IUPAC Name2-[2-(2-aminobutyl)-6-methoxyphenoxy]-N-propylacetamide
SMILESCCCNC(=O)COc1c(CC(N)CC)cccc1OC
InChIInChI=1S/C16H26N2O3/c1-4-9-18-15(19)11-21-16-12(10-13(17)5-2)7-6-8-14(16)20-3/h6-8,13H,4-5,9-11,17H2,1-3H3,(H,18,19)
InChIKeyNEMLEYFVQFZWDO-UHFFFAOYSA-N
XLogP1.88
TPSA73.58 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 ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(2-aminobutyl)-6-methoxyphenoxy]-N-ethylpropanamide
CID 60908144
2-[2-(2-aminobutyl)-6-methylphenoxy]-N-(2-cyanoethyl)acetamide
CID 115958200
2-[2-(2-aminopropyl)-6-methoxyphenoxy]-N-(cyclopropylmethyl)acetamide
CID 60907032
2-[2-(2-aminopropyl)-6-methoxyphenoxy]-N-prop-2-enylacetamide
CID 60907625
1-[3-methoxy-2-(2-propan-2-yloxyethoxy)phenyl]butan-2-amine
CID 61483305
2-[2-(2-aminobutyl)-3-chlorophenoxy]-N-butylacetamide
CID 114322009
2-[2-methoxy-6-(propylaminomethyl)phenoxy]-N-methylacetamide
CID 43472013
2-[2-(2-aminopropyl)-6-methoxyphenoxy]acetamide
CID 54929037
(E)-3-[3-methoxy-2-[2-oxo-2-(propylamino)ethoxy]phenyl]prop-2-enoic acid
CID 43471810
N-ethyl-2-[2-methoxy-6-[(2-methoxyethylamino)methyl]phenoxy]acetamide
CID 63056273
2-amino-3-(2-ethoxy-3-methoxyphenyl)propan-1-ol
CID 170893212
methyl 2-[2-(2-aminobutyl)phenoxy]acetate
CID 54930626

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-aminobutyl)-6-methoxyphenoxy]-N-propylacetamide?
The IUPAC name of 2-[2-(2-aminobutyl)-6-methoxyphenoxy]-N-propylacetamide (CID 60906912) is 2-[2-(2-aminobutyl)-6-methoxyphenoxy]-N-propylacetamide.
What is the SMILES notation for 2-[2-(2-aminobutyl)-6-methoxyphenoxy]-N-propylacetamide?
The canonical SMILES for 2-[2-(2-aminobutyl)-6-methoxyphenoxy]-N-propylacetamide is CCCNC(=O)COc1c(CC(N)CC)cccc1OC.
What is the InChIKey of 2-[2-(2-aminobutyl)-6-methoxyphenoxy]-N-propylacetamide?
The InChIKey is NEMLEYFVQFZWDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3/c1-4-9-18-15(19)11-21-16-12(10-13(17)5-2)7-6-8-14(16)20-3/h6-8,13H,4-5,9-11,17H2,1-3H3,(H,18,19).
What are the key properties of 2-[2-(2-aminobutyl)-6-methoxyphenoxy]-N-propylacetamide?
2-[2-(2-aminobutyl)-6-methoxyphenoxy]-N-propylacetamide has a molecular weight of 294.40 g/mol, XLogP of 1.88, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-aminobutyl)-6-methoxyphenoxy]-N-propylacetamide is sourced from PubChem (CID 60906912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).