2-[2-(2-hydroxyethoxy)ethylamino]-1-(4-methoxy-3-methylphenyl)propan-1-one

C15H23NO4 — CID 82100685

IUPAC2-[2-(2-hydroxyethoxy)ethylamino]-1-(4-methoxy-3-methylphenyl)propan-1-one
SMILESCOc1ccc(C(=O)C(C)NCCOCCO)cc1C
InChIInChI=1S/C15H23NO4/c1-11-10-13(4-5-14(11)19-3)15(18)12(2)16-6-8-20-9-7-17/h4-5,10,12,16-17H,6-9H2,1-3H3
InChIKeyAXIAPNJMUDGNRD-UHFFFAOYSA-N
MW281.35 g/mol
LogP1.17
Rot. Bonds9

About 2-[2-(2-hydroxyethoxy)ethylamino]-1-(4-methoxy-3-methylphenyl)propan-1-one

2-[2-(2-hydroxyethoxy)ethylamino]-1-(4-methoxy-3-methylphenyl)propan-1-one (PubChem CID 82100685) has the molecular formula C15H23NO4 and a molecular weight of 281.35 g/mol. Its IUPAC name is 2-[2-(2-hydroxyethoxy)ethylamino]-1-(4-methoxy-3-methylphenyl)propan-1-one.

Molecular Properties

Compound Name2-[2-(2-hydroxyethoxy)ethylamino]-1-(4-methoxy-3-methylphenyl)propan-1-one
PubChem CID82100685
Molecular FormulaC15H23NO4
Molecular Weight281.35 g/mol
Exact Mass281.16
IUPAC Name2-[2-(2-hydroxyethoxy)ethylamino]-1-(4-methoxy-3-methylphenyl)propan-1-one
SMILESCOc1ccc(C(=O)C(C)NCCOCCO)cc1C
InChIInChI=1S/C15H23NO4/c1-11-10-13(4-5-14(11)19-3)15(18)12(2)16-6-8-20-9-7-17/h4-5,10,12,16-17H,6-9H2,1-3H3
InChIKeyAXIAPNJMUDGNRD-UHFFFAOYSA-N
XLogP1.17
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.35
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(3,4-dimethoxyphenyl)-2-[2-(2-hydroxyethoxy)ethylamino]propan-1-one
CID 82100927
2-[(1-hydroxy-2-methylpropan-2-yl)amino]-1-(4-methoxy-3-methylphenyl)propan-1-one
CID 82100699
2-(1-hydroxybutan-2-ylamino)-1-(4-methoxy-3-methylphenyl)propan-1-one
CID 82100693
2-bromo-1-(4-methoxy-3-methylphenyl)-3-methylbutan-1-one
CID 82254707
methyl 4-(4-methoxy-3-methylphenyl)-4-oxo-3-(propan-2-ylamino)butanoate
CID 82348268
1-(3,4-dimethoxyphenyl)-2-[2-(2-hydroxyethoxy)ethylamino]ethanone
CID 82102049
methyl 3-amino-4-(4-methoxy-3-methylphenyl)-4-oxobutanoate
CID 82348273
4-methoxy-N-(1-methoxypropan-2-yl)-3-methylbenzamide
CID 18892567
4-(4-methoxy-3-methylphenyl)-N-methyl-4-oxobutanamide
CID 94262532
2-[2-(2-hydroxyethoxy)ethylamino]-N-propan-2-ylpropanamide
CID 60654173
4-methoxy-N-(1-methoxy-4-methylpentan-2-yl)-3-methylbenzamide
CID 66772927
3,3,3-trifluoro-1-(4-methoxy-3-methylphenyl)-2-(trifluoromethyl)propan-1-one
CID 103309388

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-hydroxyethoxy)ethylamino]-1-(4-methoxy-3-methylphenyl)propan-1-one?
The IUPAC name of 2-[2-(2-hydroxyethoxy)ethylamino]-1-(4-methoxy-3-methylphenyl)propan-1-one (CID 82100685) is 2-[2-(2-hydroxyethoxy)ethylamino]-1-(4-methoxy-3-methylphenyl)propan-1-one.
What is the SMILES notation for 2-[2-(2-hydroxyethoxy)ethylamino]-1-(4-methoxy-3-methylphenyl)propan-1-one?
The canonical SMILES for 2-[2-(2-hydroxyethoxy)ethylamino]-1-(4-methoxy-3-methylphenyl)propan-1-one is COc1ccc(C(=O)C(C)NCCOCCO)cc1C.
What is the InChIKey of 2-[2-(2-hydroxyethoxy)ethylamino]-1-(4-methoxy-3-methylphenyl)propan-1-one?
The InChIKey is AXIAPNJMUDGNRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO4/c1-11-10-13(4-5-14(11)19-3)15(18)12(2)16-6-8-20-9-7-17/h4-5,10,12,16-17H,6-9H2,1-3H3.
What are the key properties of 2-[2-(2-hydroxyethoxy)ethylamino]-1-(4-methoxy-3-methylphenyl)propan-1-one?
2-[2-(2-hydroxyethoxy)ethylamino]-1-(4-methoxy-3-methylphenyl)propan-1-one has a molecular weight of 281.35 g/mol, XLogP of 1.17, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-hydroxyethoxy)ethylamino]-1-(4-methoxy-3-methylphenyl)propan-1-one is sourced from PubChem (CID 82100685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).