1-(4-ethoxyphenyl)-2-[3-methoxypropyl(methyl)amino]ethanone

C15H23NO3 — CID 63007660

IUPAC1-(4-ethoxyphenyl)-2-[3-methoxypropyl(methyl)amino]ethanone
SMILESCCOc1ccc(C(=O)CN(C)CCCOC)cc1
InChIInChI=1S/C15H23NO3/c1-4-19-14-8-6-13(7-9-14)15(17)12-16(2)10-5-11-18-3/h6-9H,4-5,10-12H2,1-3H3
InChIKeyQYFFWECQEJWLMK-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.24
Rot. Bonds9

About 1-(4-ethoxyphenyl)-2-[3-methoxypropyl(methyl)amino]ethanone

1-(4-ethoxyphenyl)-2-[3-methoxypropyl(methyl)amino]ethanone (PubChem CID 63007660) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is 1-(4-ethoxyphenyl)-2-[3-methoxypropyl(methyl)amino]ethanone.

Molecular Properties

Compound Name1-(4-ethoxyphenyl)-2-[3-methoxypropyl(methyl)amino]ethanone
PubChem CID63007660
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name1-(4-ethoxyphenyl)-2-[3-methoxypropyl(methyl)amino]ethanone
SMILESCCOc1ccc(C(=O)CN(C)CCCOC)cc1
InChIInChI=1S/C15H23NO3/c1-4-19-14-8-6-13(7-9-14)15(17)12-16(2)10-5-11-18-3/h6-9H,4-5,10-12H2,1-3H3
InChIKeyQYFFWECQEJWLMK-UHFFFAOYSA-N
XLogP2.24
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.24
H-Bond Donors ≤ 50
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-[3-methoxypropyl(methyl)amino]ethanone
CID 63008573
1-[4-(4-ethoxyphenyl)phenyl]-3-methoxypropan-1-one
CID 82053444
4-ethoxy-N-[3-[3-[(4-ethoxybenzoyl)amino]propyl-methylamino]propyl]benzamide
CID 17296274
1-(4-chlorophenyl)-3-[3-methoxypropyl(methyl)amino]propan-1-one
CID 63010086
1-(4-ethoxyphenyl)-2-[furan-3-ylmethyl(methyl)amino]ethanone
CID 62034992
1,8-bis(4-ethoxyphenyl)octane-1,8-dione
CID 3098381
1-(2,6-difluorophenyl)-2-[3-methoxypropyl(methyl)amino]ethanone
CID 63008925
2-[(5-chlorothiophen-2-yl)methyl-methylamino]-1-(4-ethoxyphenyl)ethanone
CID 62053237
4-[3-[methyl(propyl)amino]propoxy]benzoic acid
CID 63069119
1-(furan-2-yl)-2-[3-methoxypropyl(methyl)amino]ethanone
CID 63008571
4-ethoxy-1-(4-ethoxyphenyl)butan-1-one
CID 105093941
2-[(5-bromothiophen-3-yl)methyl-methylamino]-1-(4-ethoxyphenyl)ethanone
CID 62037153

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxyphenyl)-2-[3-methoxypropyl(methyl)amino]ethanone?
The IUPAC name of 1-(4-ethoxyphenyl)-2-[3-methoxypropyl(methyl)amino]ethanone (CID 63007660) is 1-(4-ethoxyphenyl)-2-[3-methoxypropyl(methyl)amino]ethanone.
What is the SMILES notation for 1-(4-ethoxyphenyl)-2-[3-methoxypropyl(methyl)amino]ethanone?
The canonical SMILES for 1-(4-ethoxyphenyl)-2-[3-methoxypropyl(methyl)amino]ethanone is CCOc1ccc(C(=O)CN(C)CCCOC)cc1.
What is the InChIKey of 1-(4-ethoxyphenyl)-2-[3-methoxypropyl(methyl)amino]ethanone?
The InChIKey is QYFFWECQEJWLMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-4-19-14-8-6-13(7-9-14)15(17)12-16(2)10-5-11-18-3/h6-9H,4-5,10-12H2,1-3H3.
What are the key properties of 1-(4-ethoxyphenyl)-2-[3-methoxypropyl(methyl)amino]ethanone?
1-(4-ethoxyphenyl)-2-[3-methoxypropyl(methyl)amino]ethanone has a molecular weight of 265.35 g/mol, XLogP of 2.24, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxyphenyl)-2-[3-methoxypropyl(methyl)amino]ethanone is sourced from PubChem (CID 63007660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).