2-[5-(2-aminoethyl)-2-methoxyphenoxy]-N-(2-methylpropyl)propanamide

C16H26N2O3 — CID 60904983

IUPAC2-[5-(2-aminoethyl)-2-methoxyphenoxy]-N-(2-methylpropyl)propanamide
SMILESCOc1ccc(CCN)cc1OC(C)C(=O)NCC(C)C
InChIInChI=1S/C16H26N2O3/c1-11(2)10-18-16(19)12(3)21-15-9-13(7-8-17)5-6-14(15)20-4/h5-6,9,11-12H,7-8,10,17H2,1-4H3,(H,18,19)
InChIKeyGYRQMOZKACBEQB-UHFFFAOYSA-N
MW294.40 g/mol
LogP1.74
Rot. Bonds8

About 2-[5-(2-aminoethyl)-2-methoxyphenoxy]-N-(2-methylpropyl)propanamide

2-[5-(2-aminoethyl)-2-methoxyphenoxy]-N-(2-methylpropyl)propanamide (PubChem CID 60904983) has the molecular formula C16H26N2O3 and a molecular weight of 294.40 g/mol. Its IUPAC name is 2-[5-(2-aminoethyl)-2-methoxyphenoxy]-N-(2-methylpropyl)propanamide.

Molecular Properties

Compound Name2-[5-(2-aminoethyl)-2-methoxyphenoxy]-N-(2-methylpropyl)propanamide
PubChem CID60904983
Molecular FormulaC16H26N2O3
Molecular Weight294.40 g/mol
Exact Mass294.19
IUPAC Name2-[5-(2-aminoethyl)-2-methoxyphenoxy]-N-(2-methylpropyl)propanamide
SMILESCOc1ccc(CCN)cc1OC(C)C(=O)NCC(C)C
InChIInChI=1S/C16H26N2O3/c1-11(2)10-18-16(19)12(3)21-15-9-13(7-8-17)5-6-14(15)20-4/h5-6,9,11-12H,7-8,10,17H2,1-4H3,(H,18,19)
InChIKeyGYRQMOZKACBEQB-UHFFFAOYSA-N
XLogP1.74
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 ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(2-aminoethyl)-2-fluorophenoxy]-N-(2-methylpropyl)propanamide
CID 107692828
2-[5-(2-aminoethyl)-2-methoxyphenoxy]-N-propan-2-ylpropanamide
CID 60905217
2-[5-(2-aminoethyl)-2-methoxyphenoxy]propanamide
CID 54930549
[(2R)-1-(2-methylpropylamino)-1-oxopropan-2-yl] 3-(3,4-dimethoxyphenyl)propanoate
CID 8734143
2-(5-formyl-2-methoxyphenoxy)-N-(2-methylpropyl)propanamide
CID 43086535
2-[5-(2-aminoethyl)-2-methoxyphenoxy]-N,N-diethylpropanamide
CID 60905451
(2R)-2-(2,4-dichlorophenoxy)-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide
CID 2164093
2-[2-fluoro-4-(hydroxymethyl)phenoxy]-N-(2-methylpropyl)propanamide
CID 107690685
N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-(2-methylpropyl)oxamide
CID 3102524
2-[2-(aminomethyl)-4-fluorophenoxy]-N-(2-methylpropyl)propanamide
CID 107694652
(2R)-2-(4-chlorophenoxy)-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide
CID 51532938
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(5-methyl-2-propan-2-ylphenoxy)propanamide
CID 133186748

Frequently Asked Questions

What is the IUPAC name of 2-[5-(2-aminoethyl)-2-methoxyphenoxy]-N-(2-methylpropyl)propanamide?
The IUPAC name of 2-[5-(2-aminoethyl)-2-methoxyphenoxy]-N-(2-methylpropyl)propanamide (CID 60904983) is 2-[5-(2-aminoethyl)-2-methoxyphenoxy]-N-(2-methylpropyl)propanamide.
What is the SMILES notation for 2-[5-(2-aminoethyl)-2-methoxyphenoxy]-N-(2-methylpropyl)propanamide?
The canonical SMILES for 2-[5-(2-aminoethyl)-2-methoxyphenoxy]-N-(2-methylpropyl)propanamide is COc1ccc(CCN)cc1OC(C)C(=O)NCC(C)C.
What is the InChIKey of 2-[5-(2-aminoethyl)-2-methoxyphenoxy]-N-(2-methylpropyl)propanamide?
The InChIKey is GYRQMOZKACBEQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3/c1-11(2)10-18-16(19)12(3)21-15-9-13(7-8-17)5-6-14(15)20-4/h5-6,9,11-12H,7-8,10,17H2,1-4H3,(H,18,19).
What are the key properties of 2-[5-(2-aminoethyl)-2-methoxyphenoxy]-N-(2-methylpropyl)propanamide?
2-[5-(2-aminoethyl)-2-methoxyphenoxy]-N-(2-methylpropyl)propanamide has a molecular weight of 294.40 g/mol, XLogP of 1.74, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2-aminoethyl)-2-methoxyphenoxy]-N-(2-methylpropyl)propanamide is sourced from PubChem (CID 60904983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).