2-(diethylamino)-2-methyl-1-(2-propoxyphenyl)butan-1-one

C18H29NO2 — CID 104659341

IUPAC2-(diethylamino)-2-methyl-1-(2-propoxyphenyl)butan-1-one
SMILESCCCOc1ccccc1C(=O)C(C)(CC)N(CC)CC
InChIInChI=1S/C18H29NO2/c1-6-14-21-16-13-11-10-12-15(16)17(20)18(5,7-2)19(8-3)9-4/h10-13H,6-9,14H2,1-5H3
InChIKeyAQLPWOGSKZHTQA-UHFFFAOYSA-N
MW291.44 g/mol
LogP4.17
Rot. Bonds9

About 2-(diethylamino)-2-methyl-1-(2-propoxyphenyl)butan-1-one

2-(diethylamino)-2-methyl-1-(2-propoxyphenyl)butan-1-one (PubChem CID 104659341) has the molecular formula C18H29NO2 and a molecular weight of 291.44 g/mol. Its IUPAC name is 2-(diethylamino)-2-methyl-1-(2-propoxyphenyl)butan-1-one.

Molecular Properties

Compound Name2-(diethylamino)-2-methyl-1-(2-propoxyphenyl)butan-1-one
PubChem CID104659341
Molecular FormulaC18H29NO2
Molecular Weight291.44 g/mol
Exact Mass291.22
IUPAC Name2-(diethylamino)-2-methyl-1-(2-propoxyphenyl)butan-1-one
SMILESCCCOc1ccccc1C(=O)C(C)(CC)N(CC)CC
InChIInChI=1S/C18H29NO2/c1-6-14-21-16-13-11-10-12-15(16)17(20)18(5,7-2)19(8-3)9-4/h10-13H,6-9,14H2,1-5H3
InChIKeyAQLPWOGSKZHTQA-UHFFFAOYSA-N
XLogP4.17
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(diethylamino)-2-methyl-1-(2-propoxyphenyl)butan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(dimethylamino)-2-methyl-1-(2-propoxyphenyl)butan-1-one
CID 113438216
2,2-dimethyl-1-(2-propoxyphenyl)butan-1-one
CID 115800819
2-amino-3,3,3-trifluoro-2-methyl-1-(2-propoxyphenyl)propan-1-one
CID 116592907
2,2-dimethylpropanoyl 2-propoxybenzoate
CID 174763855
2-propoxy-N'-(2-propoxybenzoyl)benzohydrazide
CID 4948435
phenyl-(2-propoxyphenyl)methanone
CID 15556308
carbonic acid;propyl 2-propoxybenzoate
CID 69345278
2-hydroxy-1-(2-propoxyphenyl)butan-1-one
CID 103452946
2,2,2-trifluoro-1-(2-hexoxyphenyl)ethanone
CID 83952477
2-methoxy-3-methyl-1-(2-propoxyphenyl)butan-1-one
CID 116708411
2-propoxy-N-propylbenzamide
CID 58831728
2-ethylsulfanyl-1-(2-propoxyphenyl)ethanone
CID 104659274

Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)-2-methyl-1-(2-propoxyphenyl)butan-1-one?
The IUPAC name of 2-(diethylamino)-2-methyl-1-(2-propoxyphenyl)butan-1-one (CID 104659341) is 2-(diethylamino)-2-methyl-1-(2-propoxyphenyl)butan-1-one.
What is the SMILES notation for 2-(diethylamino)-2-methyl-1-(2-propoxyphenyl)butan-1-one?
The canonical SMILES for 2-(diethylamino)-2-methyl-1-(2-propoxyphenyl)butan-1-one is CCCOc1ccccc1C(=O)C(C)(CC)N(CC)CC.
What is the InChIKey of 2-(diethylamino)-2-methyl-1-(2-propoxyphenyl)butan-1-one?
The InChIKey is AQLPWOGSKZHTQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO2/c1-6-14-21-16-13-11-10-12-15(16)17(20)18(5,7-2)19(8-3)9-4/h10-13H,6-9,14H2,1-5H3.
What are the key properties of 2-(diethylamino)-2-methyl-1-(2-propoxyphenyl)butan-1-one?
2-(diethylamino)-2-methyl-1-(2-propoxyphenyl)butan-1-one has a molecular weight of 291.44 g/mol, XLogP of 4.17, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)-2-methyl-1-(2-propoxyphenyl)butan-1-one is sourced from PubChem (CID 104659341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).