[4-[3-[ethyl(2-hydroxyethyl)amino]propoxy]phenyl]-phenylmethanone

C20H25NO3 — CID 58184911

IUPAC[4-[3-[ethyl(2-hydroxyethyl)amino]propoxy]phenyl]-phenylmethanone
SMILESCCN(CCO)CCCOc1ccc(C(=O)c2ccccc2)cc1
InChIInChI=1S/C20H25NO3/c1-2-21(14-15-22)13-6-16-24-19-11-9-18(10-12-19)20(23)17-7-4-3-5-8-17/h3-5,7-12,22H,2,6,13-16H2,1H3
InChIKeyCDWAHXDQOIWUBY-UHFFFAOYSA-N
MW327.42 g/mol
LogP3.00
Rot. Bonds10

About [4-[3-[ethyl(2-hydroxyethyl)amino]propoxy]phenyl]-phenylmethanone

[4-[3-[ethyl(2-hydroxyethyl)amino]propoxy]phenyl]-phenylmethanone (PubChem CID 58184911) has the molecular formula C20H25NO3 and a molecular weight of 327.42 g/mol. Its IUPAC name is [4-[3-[ethyl(2-hydroxyethyl)amino]propoxy]phenyl]-phenylmethanone.

Molecular Properties

Compound Name[4-[3-[ethyl(2-hydroxyethyl)amino]propoxy]phenyl]-phenylmethanone
PubChem CID58184911
Molecular FormulaC20H25NO3
Molecular Weight327.42 g/mol
Exact Mass327.18
IUPAC Name[4-[3-[ethyl(2-hydroxyethyl)amino]propoxy]phenyl]-phenylmethanone
SMILESCCN(CCO)CCCOc1ccc(C(=O)c2ccccc2)cc1
InChIInChI=1S/C20H25NO3/c1-2-21(14-15-22)13-6-16-24-19-11-9-18(10-12-19)20(23)17-7-4-3-5-8-17/h3-5,7-12,22H,2,6,13-16H2,1H3
InChIKeyCDWAHXDQOIWUBY-UHFFFAOYSA-N
XLogP3.00
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.42
LogP ≤ 53.00
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

2-[2-[3-[3-(4-benzoylphenoxy)propyl-ethylamino]propanoyloxy]ethoxy]ethyl 3-[3-(4-benzoylphenoxy)propyl-ethylamino]propanoate
CID 58194645
2-[3-(4-chlorophenoxy)propyl-ethylamino]ethanol
CID 60685925
[4-[8-(4-benzoylphenoxy)octoxy]phenyl]-phenylmethanone
CID 134886756
[4-[3-[methyl(octadecyl)amino]propoxy]phenyl]-phenylmethanone
CID 118461102
1-[4-[3-(diethylamino)propoxy]phenyl]-2-phenylpropan-1-one
CID 155387268
[4-[9-(dimethylamino)nonoxy]phenyl]-phenylmethanone
CID 19760990
2-[6-[2-(4-benzoylbenzoyl)oxyethyl-ethylamino]hexyl-ethylamino]ethyl 4-benzoylbenzoate
CID 58194625
[4-[2-(dimethylamino)ethoxy]phenyl]-phenylmethanone;molybdenum
CID 159586330
1-[4-[3-(diethylamino)propoxy]phenyl]ethanone;methane
CID 161301503
1-[4-[3-(diethylamino)propoxy]phenyl]-2-phenylbutan-1-one
CID 70452860
5-[4-[4-[6-[3-[ethyl(2-hydroxyethyl)amino]propanoyloxy]hexoxy]benzoyl]phenoxy]pentyl 2-methylprop-2-enoate
CID 134197930
[2-[3-[bis(2-hydroxyethyl)amino]propoxymethoxy]phenyl]-phenylmethanone
CID 89415745

Frequently Asked Questions

What is the IUPAC name of [4-[3-[ethyl(2-hydroxyethyl)amino]propoxy]phenyl]-phenylmethanone?
The IUPAC name of [4-[3-[ethyl(2-hydroxyethyl)amino]propoxy]phenyl]-phenylmethanone (CID 58184911) is [4-[3-[ethyl(2-hydroxyethyl)amino]propoxy]phenyl]-phenylmethanone.
What is the SMILES notation for [4-[3-[ethyl(2-hydroxyethyl)amino]propoxy]phenyl]-phenylmethanone?
The canonical SMILES for [4-[3-[ethyl(2-hydroxyethyl)amino]propoxy]phenyl]-phenylmethanone is CCN(CCO)CCCOc1ccc(C(=O)c2ccccc2)cc1.
What is the InChIKey of [4-[3-[ethyl(2-hydroxyethyl)amino]propoxy]phenyl]-phenylmethanone?
The InChIKey is CDWAHXDQOIWUBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO3/c1-2-21(14-15-22)13-6-16-24-19-11-9-18(10-12-19)20(23)17-7-4-3-5-8-17/h3-5,7-12,22H,2,6,13-16H2,1H3.
What are the key properties of [4-[3-[ethyl(2-hydroxyethyl)amino]propoxy]phenyl]-phenylmethanone?
[4-[3-[ethyl(2-hydroxyethyl)amino]propoxy]phenyl]-phenylmethanone has a molecular weight of 327.42 g/mol, XLogP of 3.00, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-[ethyl(2-hydroxyethyl)amino]propoxy]phenyl]-phenylmethanone is sourced from PubChem (CID 58184911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).