[4-[3-(diethylamino)propoxy]phenyl]-(2-phenylcyclopropyl)methanone

C23H29NO2 — CID 85424921

IUPAC[4-[3-(diethylamino)propoxy]phenyl]-(2-phenylcyclopropyl)methanone
SMILESCCN(CC)CCCOc1ccc(C(=O)C2CC2c2ccccc2)cc1
InChIInChI=1S/C23H29NO2/c1-3-24(4-2)15-8-16-26-20-13-11-19(12-14-20)23(25)22-17-21(22)18-9-6-5-7-10-18/h5-7,9-14,21-22H,3-4,8,15-17H2,1-2H3
InChIKeyHXYOCNUAYABJOI-UHFFFAOYSA-N
MW351.49 g/mol
LogP4.78
Rot. Bonds10

About [4-[3-(diethylamino)propoxy]phenyl]-(2-phenylcyclopropyl)methanone

[4-[3-(diethylamino)propoxy]phenyl]-(2-phenylcyclopropyl)methanone (PubChem CID 85424921) has the molecular formula C23H29NO2 and a molecular weight of 351.49 g/mol. Its IUPAC name is [4-[3-(diethylamino)propoxy]phenyl]-(2-phenylcyclopropyl)methanone.

Molecular Properties

Compound Name[4-[3-(diethylamino)propoxy]phenyl]-(2-phenylcyclopropyl)methanone
PubChem CID85424921
Molecular FormulaC23H29NO2
Molecular Weight351.49 g/mol
Exact Mass351.22
IUPAC Name[4-[3-(diethylamino)propoxy]phenyl]-(2-phenylcyclopropyl)methanone
SMILESCCN(CC)CCCOc1ccc(C(=O)C2CC2c2ccccc2)cc1
InChIInChI=1S/C23H29NO2/c1-3-24(4-2)15-8-16-26-20-13-11-19(12-14-20)23(25)22-17-21(22)18-9-6-5-7-10-18/h5-7,9-14,21-22H,3-4,8,15-17H2,1-2H3
InChIKeyHXYOCNUAYABJOI-UHFFFAOYSA-N
XLogP4.78
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.49
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

[2-(3-bromophenyl)cyclopropyl]-[4-[3-(diethylamino)propoxy]phenyl]methanone
CID 85418010
[2-(4-ethoxyphenyl)cyclopropyl]-phenylmethanone
CID 14939960
(2-phenylcyclopropyl)-[4-(3-piperidin-1-ylpropoxy)phenyl]methanone
CID 72962194
1-[4-[3-(diethylamino)propoxy]phenyl]-2-phenylpropan-1-one
CID 155387268
1-[4-[3-(diethylamino)propoxy]phenyl]ethanone;methane
CID 161301503
1-[4-[3-(diethylamino)propoxy]phenyl]-2-phenylbutan-1-one
CID 70452860
[4-[3-[ethyl(2-hydroxyethyl)amino]propoxy]phenyl]-phenylmethanone
CID 58184911
methyl 4-[3-(diethylamino)propoxy]benzoate
CID 18508138
2-bromo-1-[4-[3-(diethylamino)propoxy]phenyl]ethanone
CID 86591969
9-[4-(2-chloro-1,2-diphenylethenyl)phenoxy]-N,N-diethylnonan-1-amine
CID 54293078
trans-(1R,2R)-2-(4-ethoxyphenyl)cyclopropane-1-carboxylic acid
CID 39058010
ethane;2-phenylcyclopropane-1-carboxylic acid
CID 91570346

Frequently Asked Questions

What is the IUPAC name of [4-[3-(diethylamino)propoxy]phenyl]-(2-phenylcyclopropyl)methanone?
The IUPAC name of [4-[3-(diethylamino)propoxy]phenyl]-(2-phenylcyclopropyl)methanone (CID 85424921) is [4-[3-(diethylamino)propoxy]phenyl]-(2-phenylcyclopropyl)methanone.
What is the SMILES notation for [4-[3-(diethylamino)propoxy]phenyl]-(2-phenylcyclopropyl)methanone?
The canonical SMILES for [4-[3-(diethylamino)propoxy]phenyl]-(2-phenylcyclopropyl)methanone is CCN(CC)CCCOc1ccc(C(=O)C2CC2c2ccccc2)cc1.
What is the InChIKey of [4-[3-(diethylamino)propoxy]phenyl]-(2-phenylcyclopropyl)methanone?
The InChIKey is HXYOCNUAYABJOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29NO2/c1-3-24(4-2)15-8-16-26-20-13-11-19(12-14-20)23(25)22-17-21(22)18-9-6-5-7-10-18/h5-7,9-14,21-22H,3-4,8,15-17H2,1-2H3.
What are the key properties of [4-[3-(diethylamino)propoxy]phenyl]-(2-phenylcyclopropyl)methanone?
[4-[3-(diethylamino)propoxy]phenyl]-(2-phenylcyclopropyl)methanone has a molecular weight of 351.49 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 [4-[3-(diethylamino)propoxy]phenyl]-(2-phenylcyclopropyl)methanone is sourced from PubChem (CID 85424921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).