2-[4-(1-aminoethyl)-2-methoxyphenoxy]-N-(3-methylbutyl)acetamide

C16H26N2O3 — CID 61486644

IUPAC2-[4-(1-aminoethyl)-2-methoxyphenoxy]-N-(3-methylbutyl)acetamide
SMILESCOc1cc(C(C)N)ccc1OCC(=O)NCCC(C)C
InChIInChI=1S/C16H26N2O3/c1-11(2)7-8-18-16(19)10-21-14-6-5-13(12(3)17)9-15(14)20-4/h5-6,9,11-12H,7-8,10,17H2,1-4H3,(H,18,19)
InChIKeyMFRHDSPHKHXTPK-UHFFFAOYSA-N
MW294.40 g/mol
LogP2.26
Rot. Bonds8

About 2-[4-(1-aminoethyl)-2-methoxyphenoxy]-N-(3-methylbutyl)acetamide

2-[4-(1-aminoethyl)-2-methoxyphenoxy]-N-(3-methylbutyl)acetamide (PubChem CID 61486644) has the molecular formula C16H26N2O3 and a molecular weight of 294.40 g/mol. Its IUPAC name is 2-[4-(1-aminoethyl)-2-methoxyphenoxy]-N-(3-methylbutyl)acetamide.

Molecular Properties

Compound Name2-[4-(1-aminoethyl)-2-methoxyphenoxy]-N-(3-methylbutyl)acetamide
PubChem CID61486644
Molecular FormulaC16H26N2O3
Molecular Weight294.40 g/mol
Exact Mass294.19
IUPAC Name2-[4-(1-aminoethyl)-2-methoxyphenoxy]-N-(3-methylbutyl)acetamide
SMILESCOc1cc(C(C)N)ccc1OCC(=O)NCCC(C)C
InChIInChI=1S/C16H26N2O3/c1-11(2)7-8-18-16(19)10-21-14-6-5-13(12(3)17)9-15(14)20-4/h5-6,9,11-12H,7-8,10,17H2,1-4H3,(H,18,19)
InChIKeyMFRHDSPHKHXTPK-UHFFFAOYSA-N
XLogP2.26
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(1-aminoethyl)-2-methoxyphenoxy]-N-(2-methylpropyl)acetamide
CID 16783572
2-[4-[(1R)-1-aminoethyl]-2-methoxyphenoxy]-N-ethylacetamide
CID 30120639
2-[4-[(1R)-1-aminoethyl]-2-methoxyphenoxy]-N-(3-methoxypropyl)acetamide
CID 63366894
2-[4-[(1S)-1-aminoethyl]-2-methoxyphenoxy]-N-carbamoylacetamide
CID 30114776
2-[4-[(1S)-1-hydroxyethyl]-2-methoxyphenoxy]-N-(2-methoxyethyl)acetamide
CID 78931398
2-[2-(1-aminoethyl)-4-methylphenoxy]-N-(3-methylbutyl)acetamide
CID 61486605
2-[4-(1-hydroxyethyl)-2-methoxyphenoxy]-N-(2-methoxyethyl)acetamide
CID 60728745
2-[4-[1-(ethylamino)ethyl]-2-methoxyphenoxy]-N-propylacetamide
CID 43279460
N-(3-aminobutyl)-2-(2-methoxyphenoxy)acetamide;hydrochloride
CID 119494768
2-[2-[(1R)-1-aminoethyl]-5-bromophenoxy]-N-(3-methylbutyl)acetamide
CID 102946796
2-(2-methoxy-5-nitrophenoxy)-N-(3-methylbutyl)acetamide
CID 7931749
N-(2-cyanoethyl)-2-[4-(1-hydroxyethyl)-2-methoxyphenoxy]acetamide
CID 43503845

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-aminoethyl)-2-methoxyphenoxy]-N-(3-methylbutyl)acetamide?
The IUPAC name of 2-[4-(1-aminoethyl)-2-methoxyphenoxy]-N-(3-methylbutyl)acetamide (CID 61486644) is 2-[4-(1-aminoethyl)-2-methoxyphenoxy]-N-(3-methylbutyl)acetamide.
What is the SMILES notation for 2-[4-(1-aminoethyl)-2-methoxyphenoxy]-N-(3-methylbutyl)acetamide?
The canonical SMILES for 2-[4-(1-aminoethyl)-2-methoxyphenoxy]-N-(3-methylbutyl)acetamide is COc1cc(C(C)N)ccc1OCC(=O)NCCC(C)C.
What is the InChIKey of 2-[4-(1-aminoethyl)-2-methoxyphenoxy]-N-(3-methylbutyl)acetamide?
The InChIKey is MFRHDSPHKHXTPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3/c1-11(2)7-8-18-16(19)10-21-14-6-5-13(12(3)17)9-15(14)20-4/h5-6,9,11-12H,7-8,10,17H2,1-4H3,(H,18,19).
What are the key properties of 2-[4-(1-aminoethyl)-2-methoxyphenoxy]-N-(3-methylbutyl)acetamide?
2-[4-(1-aminoethyl)-2-methoxyphenoxy]-N-(3-methylbutyl)acetamide has a molecular weight of 294.40 g/mol, XLogP of 2.26, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-aminoethyl)-2-methoxyphenoxy]-N-(3-methylbutyl)acetamide is sourced from PubChem (CID 61486644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).