2-(diethylamino)-2-methyl-1-(3-propylphenyl)butan-1-one

C18H29NO — CID 116543338

IUPAC2-(diethylamino)-2-methyl-1-(3-propylphenyl)butan-1-one
SMILESCCCc1cccc(C(=O)C(C)(CC)N(CC)CC)c1
InChIInChI=1S/C18H29NO/c1-6-11-15-12-10-13-16(14-15)17(20)18(5,7-2)19(8-3)9-4/h10,12-14H,6-9,11H2,1-5H3
InChIKeyKIPRAGNESQFDDJ-UHFFFAOYSA-N
MW275.44 g/mol
LogP4.33
Rot. Bonds8

About 2-(diethylamino)-2-methyl-1-(3-propylphenyl)butan-1-one

2-(diethylamino)-2-methyl-1-(3-propylphenyl)butan-1-one (PubChem CID 116543338) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is 2-(diethylamino)-2-methyl-1-(3-propylphenyl)butan-1-one.

Molecular Properties

Compound Name2-(diethylamino)-2-methyl-1-(3-propylphenyl)butan-1-one
PubChem CID116543338
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC Name2-(diethylamino)-2-methyl-1-(3-propylphenyl)butan-1-one
SMILESCCCc1cccc(C(=O)C(C)(CC)N(CC)CC)c1
InChIInChI=1S/C18H29NO/c1-6-11-15-12-10-13-16(14-15)17(20)18(5,7-2)19(8-3)9-4/h10,12-14H,6-9,11H2,1-5H3
InChIKeyKIPRAGNESQFDDJ-UHFFFAOYSA-N
XLogP4.33
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-(diethylamino)-2-methyl-1-(3-propylphenyl)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

1-(3-cyclobutylphenyl)-2-(diethylamino)-2-methylbutan-1-one
CID 114601959
2-(aminomethyl)-2-ethyl-1-(3-propylphenyl)butan-1-one
CID 116603848
2-amino-1-(3-propylphenyl)ethanone
CID 116548428
2-(diethylamino)-2-methyl-1-naphthalen-1-ylbutan-1-one
CID 79057550
methyl 3-propylbenzoate
CID 12861009
[3-(dimethylamino)phenyl]-(3-propylphenyl)methanone
CID 105133978
1-(3-propylphenyl)-2-propylsulfanylethanone
CID 116543248
3-(2,2-dimethylbutyl)-N-ethyl-N-phenylbenzamide
CID 71053714
(2-tert-butylphenyl)-(3-propylphenyl)methanone
CID 115812250
1-(3-bromo-2-fluorophenyl)-2-(diethylamino)-2-methylbutan-1-one
CID 106644859
(3,5-dimethylphenyl)-(3-propylphenyl)methanone
CID 115811990
N-[2-(ethylamino)-2-oxoethyl]-3-propylbenzamide
CID 71109879

Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)-2-methyl-1-(3-propylphenyl)butan-1-one?
The IUPAC name of 2-(diethylamino)-2-methyl-1-(3-propylphenyl)butan-1-one (CID 116543338) is 2-(diethylamino)-2-methyl-1-(3-propylphenyl)butan-1-one.
What is the SMILES notation for 2-(diethylamino)-2-methyl-1-(3-propylphenyl)butan-1-one?
The canonical SMILES for 2-(diethylamino)-2-methyl-1-(3-propylphenyl)butan-1-one is CCCc1cccc(C(=O)C(C)(CC)N(CC)CC)c1.
What is the InChIKey of 2-(diethylamino)-2-methyl-1-(3-propylphenyl)butan-1-one?
The InChIKey is KIPRAGNESQFDDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-6-11-15-12-10-13-16(14-15)17(20)18(5,7-2)19(8-3)9-4/h10,12-14H,6-9,11H2,1-5H3.
What are the key properties of 2-(diethylamino)-2-methyl-1-(3-propylphenyl)butan-1-one?
2-(diethylamino)-2-methyl-1-(3-propylphenyl)butan-1-one has a molecular weight of 275.44 g/mol, XLogP of 4.33, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)-2-methyl-1-(3-propylphenyl)butan-1-one is sourced from PubChem (CID 116543338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).