2-[cyclobutyl(2-hydroxyethyl)amino]-1-(2,4,6-trimethylphenyl)ethanone

C17H25NO2 — CID 102864574

IUPAC2-[cyclobutyl(2-hydroxyethyl)amino]-1-(2,4,6-trimethylphenyl)ethanone
SMILESCc1cc(C)c(C(=O)CN(CCO)C2CCC2)c(C)c1
InChIInChI=1S/C17H25NO2/c1-12-9-13(2)17(14(3)10-12)16(20)11-18(7-8-19)15-5-4-6-15/h9-10,15,19H,4-8,11H2,1-3H3
InChIKeyYKEJROTXJYUGFB-UHFFFAOYSA-N
MW275.39 g/mol
LogP2.64
Rot. Bonds6

About 2-[cyclobutyl(2-hydroxyethyl)amino]-1-(2,4,6-trimethylphenyl)ethanone

2-[cyclobutyl(2-hydroxyethyl)amino]-1-(2,4,6-trimethylphenyl)ethanone (PubChem CID 102864574) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is 2-[cyclobutyl(2-hydroxyethyl)amino]-1-(2,4,6-trimethylphenyl)ethanone.

Molecular Properties

Compound Name2-[cyclobutyl(2-hydroxyethyl)amino]-1-(2,4,6-trimethylphenyl)ethanone
PubChem CID102864574
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Name2-[cyclobutyl(2-hydroxyethyl)amino]-1-(2,4,6-trimethylphenyl)ethanone
SMILESCc1cc(C)c(C(=O)CN(CCO)C2CCC2)c(C)c1
InChIInChI=1S/C17H25NO2/c1-12-9-13(2)17(14(3)10-12)16(20)11-18(7-8-19)15-5-4-6-15/h9-10,15,19H,4-8,11H2,1-3H3
InChIKeyYKEJROTXJYUGFB-UHFFFAOYSA-N
XLogP2.64
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[cyclobutyl(2-hydroxyethyl)amino]-1-(2,4,6-trimethylphenyl)ethanone 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-[cyclopropyl(2-hydroxyethyl)amino]-1-(2,4,5-trimethylphenyl)ethanone
CID 62029955
2-[ethyl(piperidin-4-yl)amino]-1-(2,4,6-trimethylphenyl)ethanone
CID 62031654
2-[cyclopentyl(2-hydroxyethyl)amino]-1-(1,2,5-trimethylpyrrol-3-yl)ethanone
CID 62037838
2-[cyclopropyl(2-hydroxyethyl)amino]-1-(3-methylphenyl)ethanone
CID 62030145
2-[cyclohexyl(2-hydroxyethyl)amino]-1-(5-methylthiophen-2-yl)ethanone
CID 62035131
4-[cyclohexyl(2-hydroxyethyl)amino]-N-(2,4,6-trimethylphenyl)butanamide
CID 78820568
1-(4-bromophenyl)-2-[cyclobutyl(2-hydroxyethyl)amino]ethanone
CID 102864528
3-[cyclohexyl(2-hydroxyethyl)amino]-1-(4-methylphenyl)propan-1-one
CID 62613172
methyl 2-[cyclobutyl(2-hydroxyethyl)amino]acetate
CID 102677162
2-[cyclobutyl(2-hydroxyethyl)amino]-N-cyclohexyl-N-methylacetamide
CID 102676811
2-[cyclopentyl(2-hydroxyethyl)amino]-1-(2,4-difluorophenyl)ethanone
CID 62036284
2-[cyclohexyl(2-hydroxyethyl)amino]-1-(1-methylpyrrol-3-yl)ethanone
CID 62035518

Frequently Asked Questions

What is the IUPAC name of 2-[cyclobutyl(2-hydroxyethyl)amino]-1-(2,4,6-trimethylphenyl)ethanone?
The IUPAC name of 2-[cyclobutyl(2-hydroxyethyl)amino]-1-(2,4,6-trimethylphenyl)ethanone (CID 102864574) is 2-[cyclobutyl(2-hydroxyethyl)amino]-1-(2,4,6-trimethylphenyl)ethanone.
What is the SMILES notation for 2-[cyclobutyl(2-hydroxyethyl)amino]-1-(2,4,6-trimethylphenyl)ethanone?
The canonical SMILES for 2-[cyclobutyl(2-hydroxyethyl)amino]-1-(2,4,6-trimethylphenyl)ethanone is Cc1cc(C)c(C(=O)CN(CCO)C2CCC2)c(C)c1.
What is the InChIKey of 2-[cyclobutyl(2-hydroxyethyl)amino]-1-(2,4,6-trimethylphenyl)ethanone?
The InChIKey is YKEJROTXJYUGFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-12-9-13(2)17(14(3)10-12)16(20)11-18(7-8-19)15-5-4-6-15/h9-10,15,19H,4-8,11H2,1-3H3.
What are the key properties of 2-[cyclobutyl(2-hydroxyethyl)amino]-1-(2,4,6-trimethylphenyl)ethanone?
2-[cyclobutyl(2-hydroxyethyl)amino]-1-(2,4,6-trimethylphenyl)ethanone has a molecular weight of 275.39 g/mol, XLogP of 2.64, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclobutyl(2-hydroxyethyl)amino]-1-(2,4,6-trimethylphenyl)ethanone is sourced from PubChem (CID 102864574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).