1-[4-[3-(diethylamino)propoxy]phenyl]-2-phenylpropan-1-one

C22H29NO2 — CID 155387268

IUPAC1-[4-[3-(diethylamino)propoxy]phenyl]-2-phenylpropan-1-one
SMILESCCN(CC)CCCOc1ccc(C(=O)C(C)c2ccccc2)cc1
InChIInChI=1S/C22H29NO2/c1-4-23(5-2)16-9-17-25-21-14-12-20(13-15-21)22(24)18(3)19-10-7-6-8-11-19/h6-8,10-15,18H,4-5,9,16-17H2,1-3H3
InChIKeyDVBYLKCABTXQFH-UHFFFAOYSA-N
MW339.48 g/mol
LogP4.78
Rot. Bonds10

About 1-[4-[3-(diethylamino)propoxy]phenyl]-2-phenylpropan-1-one

1-[4-[3-(diethylamino)propoxy]phenyl]-2-phenylpropan-1-one (PubChem CID 155387268) has the molecular formula C22H29NO2 and a molecular weight of 339.48 g/mol. Its IUPAC name is 1-[4-[3-(diethylamino)propoxy]phenyl]-2-phenylpropan-1-one.

Molecular Properties

Compound Name1-[4-[3-(diethylamino)propoxy]phenyl]-2-phenylpropan-1-one
PubChem CID155387268
Molecular FormulaC22H29NO2
Molecular Weight339.48 g/mol
Exact Mass339.22
IUPAC Name1-[4-[3-(diethylamino)propoxy]phenyl]-2-phenylpropan-1-one
SMILESCCN(CC)CCCOc1ccc(C(=O)C(C)c2ccccc2)cc1
InChIInChI=1S/C22H29NO2/c1-4-23(5-2)16-9-17-25-21-14-12-20(13-15-21)22(24)18(3)19-10-7-6-8-11-19/h6-8,10-15,18H,4-5,9,16-17H2,1-3H3
InChIKeyDVBYLKCABTXQFH-UHFFFAOYSA-N
XLogP4.78
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.48
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(4-butoxyphenyl)-2-phenylpropan-1-one
CID 101074435
1-[4-[3-(diethylamino)propoxy]phenyl]-2-phenylbutan-1-one
CID 70452860
1-[4-[3-(diethylamino)propoxy]phenyl]ethanone;methane
CID 161301503
[4-[3-[ethyl(2-hydroxyethyl)amino]propoxy]phenyl]-phenylmethanone
CID 58184911
2-bromo-1-[4-[3-(diethylamino)propoxy]phenyl]ethanone
CID 86591969
methyl 4-[3-(diethylamino)propoxy]benzoate
CID 18508138
(2R)-2-[[4-[2-(diethylamino)ethoxy]benzoyl]amino]-2-phenylacetic acid
CID 119367704
2-[2-[3-[3-(4-benzoylphenoxy)propyl-ethylamino]propanoyloxy]ethoxy]ethyl 3-[3-(4-benzoylphenoxy)propyl-ethylamino]propanoate
CID 58194645
[4-[3-(diethylamino)propoxy]phenyl]-(2-phenylcyclopropyl)methanone
CID 85424921
1-(4-ethylphenyl)-2-phenylpropan-1-one
CID 14686087
4-[3-[ethyl(propan-2-yl)amino]propoxy]benzoic acid
CID 63068770
2-[carboxymethyl(3-phenoxypropyl)amino]acetic acid
CID 63644970

Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-(diethylamino)propoxy]phenyl]-2-phenylpropan-1-one?
The IUPAC name of 1-[4-[3-(diethylamino)propoxy]phenyl]-2-phenylpropan-1-one (CID 155387268) is 1-[4-[3-(diethylamino)propoxy]phenyl]-2-phenylpropan-1-one.
What is the SMILES notation for 1-[4-[3-(diethylamino)propoxy]phenyl]-2-phenylpropan-1-one?
The canonical SMILES for 1-[4-[3-(diethylamino)propoxy]phenyl]-2-phenylpropan-1-one is CCN(CC)CCCOc1ccc(C(=O)C(C)c2ccccc2)cc1.
What is the InChIKey of 1-[4-[3-(diethylamino)propoxy]phenyl]-2-phenylpropan-1-one?
The InChIKey is DVBYLKCABTXQFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29NO2/c1-4-23(5-2)16-9-17-25-21-14-12-20(13-15-21)22(24)18(3)19-10-7-6-8-11-19/h6-8,10-15,18H,4-5,9,16-17H2,1-3H3.
What are the key properties of 1-[4-[3-(diethylamino)propoxy]phenyl]-2-phenylpropan-1-one?
1-[4-[3-(diethylamino)propoxy]phenyl]-2-phenylpropan-1-one has a molecular weight of 339.48 g/mol, XLogP of 4.78, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[3-(diethylamino)propoxy]phenyl]-2-phenylpropan-1-one is sourced from PubChem (CID 155387268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).