2-(2-methoxyethylamino)-1-(4-propoxyphenyl)propan-1-one

C15H23NO3 — CID 82100852

IUPAC2-(2-methoxyethylamino)-1-(4-propoxyphenyl)propan-1-one
SMILESCCCOc1ccc(C(=O)C(C)NCCOC)cc1
InChIInChI=1S/C15H23NO3/c1-4-10-19-14-7-5-13(6-8-14)15(17)12(2)16-9-11-18-3/h5-8,12,16H,4,9-11H2,1-3H3
InChIKeyBBACJKKRJKDCSR-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.28
Rot. Bonds9

About 2-(2-methoxyethylamino)-1-(4-propoxyphenyl)propan-1-one

2-(2-methoxyethylamino)-1-(4-propoxyphenyl)propan-1-one (PubChem CID 82100852) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is 2-(2-methoxyethylamino)-1-(4-propoxyphenyl)propan-1-one.

Molecular Properties

Compound Name2-(2-methoxyethylamino)-1-(4-propoxyphenyl)propan-1-one
PubChem CID82100852
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name2-(2-methoxyethylamino)-1-(4-propoxyphenyl)propan-1-one
SMILESCCCOc1ccc(C(=O)C(C)NCCOC)cc1
InChIInChI=1S/C15H23NO3/c1-4-10-19-14-7-5-13(6-8-14)15(17)12(2)16-9-11-18-3/h5-8,12,16H,4,9-11H2,1-3H3
InChIKeyBBACJKKRJKDCSR-UHFFFAOYSA-N
XLogP2.28
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(4-ethylphenyl)-2-(2-methoxyethylamino)propan-1-one
CID 82100246
2-methyl-1-(4-propoxyphenyl)propan-1-one
CID 595976
2-(3-methoxypropylamino)-1-[4-(2-methylprop-2-enoxy)phenyl]propan-1-one
CID 82101067
methyl 2-(2-methoxyethylamino)-2-(4-propoxyphenyl)acetate
CID 62540489
N-(1-hydroxypropan-2-yl)-4-propoxybenzamide
CID 43418970
2-[2-(dimethylamino)ethylamino]-1-(4-ethoxyphenyl)propan-1-one
CID 82100821
2-ethoxy-1-(4-propoxyphenyl)propan-1-one
CID 64540880
2-(butylamino)-1-(4-propan-2-yloxyphenyl)propan-1-one
CID 82100874
N-(2-methoxyethyl)-4-[(4-propoxybenzoyl)amino]benzamide
CID 17218276
2-(3-ethoxypropylamino)-1-(4-methoxyphenyl)propan-1-one
CID 82100764
N-butan-2-yl-4-(2-methoxyethoxy)benzamide
CID 17137424
1-(4-ethoxyphenyl)-2-(2-methylpropylamino)propan-1-one
CID 82100788

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethylamino)-1-(4-propoxyphenyl)propan-1-one?
The IUPAC name of 2-(2-methoxyethylamino)-1-(4-propoxyphenyl)propan-1-one (CID 82100852) is 2-(2-methoxyethylamino)-1-(4-propoxyphenyl)propan-1-one.
What is the SMILES notation for 2-(2-methoxyethylamino)-1-(4-propoxyphenyl)propan-1-one?
The canonical SMILES for 2-(2-methoxyethylamino)-1-(4-propoxyphenyl)propan-1-one is CCCOc1ccc(C(=O)C(C)NCCOC)cc1.
What is the InChIKey of 2-(2-methoxyethylamino)-1-(4-propoxyphenyl)propan-1-one?
The InChIKey is BBACJKKRJKDCSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-4-10-19-14-7-5-13(6-8-14)15(17)12(2)16-9-11-18-3/h5-8,12,16H,4,9-11H2,1-3H3.
What are the key properties of 2-(2-methoxyethylamino)-1-(4-propoxyphenyl)propan-1-one?
2-(2-methoxyethylamino)-1-(4-propoxyphenyl)propan-1-one has a molecular weight of 265.35 g/mol, XLogP of 2.28, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethylamino)-1-(4-propoxyphenyl)propan-1-one is sourced from PubChem (CID 82100852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).