1-(2,6-dimethylphenyl)-3-[ethyl(propyl)amino]pentan-2-one

C18H29NO — CID 157438997

IUPAC1-(2,6-dimethylphenyl)-3-[ethyl(propyl)amino]pentan-2-one
SMILESCCCN(CC)C(CC)C(=O)Cc1c(C)cccc1C
InChIInChI=1S/C18H29NO/c1-6-12-19(8-3)17(7-2)18(20)13-16-14(4)10-9-11-15(16)5/h9-11,17H,6-8,12-13H2,1-5H3
InChIKeyQAEJXJXDQPHOKW-UHFFFAOYSA-N
MW275.44 g/mol
LogP3.93
Rot. Bonds8

About 1-(2,6-dimethylphenyl)-3-[ethyl(propyl)amino]pentan-2-one

1-(2,6-dimethylphenyl)-3-[ethyl(propyl)amino]pentan-2-one (PubChem CID 157438997) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is 1-(2,6-dimethylphenyl)-3-[ethyl(propyl)amino]pentan-2-one.

Molecular Properties

Compound Name1-(2,6-dimethylphenyl)-3-[ethyl(propyl)amino]pentan-2-one
PubChem CID157438997
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC Name1-(2,6-dimethylphenyl)-3-[ethyl(propyl)amino]pentan-2-one
SMILESCCCN(CC)C(CC)C(=O)Cc1c(C)cccc1C
InChIInChI=1S/C18H29NO/c1-6-12-19(8-3)17(7-2)18(20)13-16-14(4)10-9-11-15(16)5/h9-11,17H,6-8,12-13H2,1-5H3
InChIKeyQAEJXJXDQPHOKW-UHFFFAOYSA-N
XLogP3.93
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 ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(2,6-dimethylphenyl)-3-[ethyl(propyl)amino]pentan-2-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

N-(2,6-dimethylphenyl)-2-[ethyl(propyl)amino]butanamide;methanesulfonic acid
CID 75989741
3-bromo-1-(2,6-dimethylphenyl)pentan-2-one
CID 158205017
1-(2,6-dimethylphenyl)-3-[ethyl(propyl)amino]propan-2-one
CID 158292026
2-[butyl(ethyl)amino]-N-(2,6-dimethylphenyl)butanamide;ethane
CID 145255020
N-(2-amino-6-methylphenyl)-2-[butan-2-yl(ethyl)amino]acetamide
CID 43376010
(2S)-2-[ethyl-[(2-methylphenyl)methyl]amino]butanoic acid
CID 129401479
1-(2,6-dimethylphenyl)-3-(1-methylpyrrolidin-1-ium-1-yl)pentan-2-one
CID 159106976
N-(2,6-dimethylphenyl)-2-[ethyl(propyl)amino]butanamide;4-[(1R)-1-hydroxy-2-(methylamino)ethyl]benzene-1,2-diol;hydrochloride
CID 24848052
1-(2,6-dimethylphenyl)-3-(1-methylpiperidin-1-ium-1-yl)pentan-2-one
CID 147604374
1-cyclopropyl-3-(2,6-dimethylphenyl)-1-hydroxypropan-2-one
CID 103455788
2-(diethylamino)-N-(2,6-dimethylphenyl)pentanamide
CID 3048765
1-(2,6-dimethylphenyl)-4-propoxybutan-2-one
CID 105123511

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethylphenyl)-3-[ethyl(propyl)amino]pentan-2-one?
The IUPAC name of 1-(2,6-dimethylphenyl)-3-[ethyl(propyl)amino]pentan-2-one (CID 157438997) is 1-(2,6-dimethylphenyl)-3-[ethyl(propyl)amino]pentan-2-one.
What is the SMILES notation for 1-(2,6-dimethylphenyl)-3-[ethyl(propyl)amino]pentan-2-one?
The canonical SMILES for 1-(2,6-dimethylphenyl)-3-[ethyl(propyl)amino]pentan-2-one is CCCN(CC)C(CC)C(=O)Cc1c(C)cccc1C.
What is the InChIKey of 1-(2,6-dimethylphenyl)-3-[ethyl(propyl)amino]pentan-2-one?
The InChIKey is QAEJXJXDQPHOKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-6-12-19(8-3)17(7-2)18(20)13-16-14(4)10-9-11-15(16)5/h9-11,17H,6-8,12-13H2,1-5H3.
What are the key properties of 1-(2,6-dimethylphenyl)-3-[ethyl(propyl)amino]pentan-2-one?
1-(2,6-dimethylphenyl)-3-[ethyl(propyl)amino]pentan-2-one has a molecular weight of 275.44 g/mol, XLogP of 3.93, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethylphenyl)-3-[ethyl(propyl)amino]pentan-2-one is sourced from PubChem (CID 157438997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).