3-[cyclobutylmethyl(ethyl)amino]-2,2-dimethyl-1-phenylpropan-1-one

C18H27NO — CID 107401488

IUPAC3-[cyclobutylmethyl(ethyl)amino]-2,2-dimethyl-1-phenylpropan-1-one
SMILESCCN(CC1CCC1)CC(C)(C)C(=O)c1ccccc1
InChIInChI=1S/C18H27NO/c1-4-19(13-15-9-8-10-15)14-18(2,3)17(20)16-11-6-5-7-12-16/h5-7,11-12,15H,4,8-10,13-14H2,1-3H3
InChIKeyYFDIZZIDBWPLGB-UHFFFAOYSA-N
MW273.42 g/mol
LogP4.02
Rot. Bonds7

About 3-[cyclobutylmethyl(ethyl)amino]-2,2-dimethyl-1-phenylpropan-1-one

3-[cyclobutylmethyl(ethyl)amino]-2,2-dimethyl-1-phenylpropan-1-one (PubChem CID 107401488) has the molecular formula C18H27NO and a molecular weight of 273.42 g/mol. Its IUPAC name is 3-[cyclobutylmethyl(ethyl)amino]-2,2-dimethyl-1-phenylpropan-1-one.

Molecular Properties

Compound Name3-[cyclobutylmethyl(ethyl)amino]-2,2-dimethyl-1-phenylpropan-1-one
PubChem CID107401488
Molecular FormulaC18H27NO
Molecular Weight273.42 g/mol
Exact Mass273.21
IUPAC Name3-[cyclobutylmethyl(ethyl)amino]-2,2-dimethyl-1-phenylpropan-1-one
SMILESCCN(CC1CCC1)CC(C)(C)C(=O)c1ccccc1
InChIInChI=1S/C18H27NO/c1-4-19(13-15-9-8-10-15)14-18(2,3)17(20)16-11-6-5-7-12-16/h5-7,11-12,15H,4,8-10,13-14H2,1-3H3
InChIKeyYFDIZZIDBWPLGB-UHFFFAOYSA-N
XLogP4.02
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[cyclopropylmethyl(ethyl)amino]-2-methyl-2-phenylpropanoic acid
CID 63939484
1-[cyclopropylmethyl(ethyl)amino]-2-phenylpropan-2-ol
CID 63956044
2-[[cyclobutylmethyl(ethyl)amino]methyl]-2-methylpentanoic acid
CID 107401707
2,2-dimethyl-3-[methyl-(4-methylcyclohexyl)amino]-1-phenylpropan-1-one
CID 63482293
2-[[cyclobutylmethyl(ethyl)amino]methyl]-2-methylpropane-1,3-diol
CID 107400471
2,2-dimethyl-3-(N-methylanilino)-1-phenylpropan-1-one
CID 63195859
1-(1,3-benzodioxol-5-yl)-2-[cyclobutylmethyl(ethyl)amino]ethanone
CID 107399799
N'-(cyclobutylmethyl)-N'-ethyl-N-phenylpropane-1,3-diamine
CID 107402188
1-(1-benzofuran-2-yl)-2-[cyclobutylmethyl(ethyl)amino]ethanone
CID 107399870
2-bromo-3-cyclopentyl-2-fluoro-1-phenylpropan-1-one
CID 135075009
3-[ethyl(1-methoxypropan-2-yl)amino]-2,2-dimethyl-1-phenylpropan-1-one
CID 63193751
2-[cyclobutylmethyl(ethyl)carbamoyl]benzoic acid
CID 107397528

Frequently Asked Questions

What is the IUPAC name of 3-[cyclobutylmethyl(ethyl)amino]-2,2-dimethyl-1-phenylpropan-1-one?
The IUPAC name of 3-[cyclobutylmethyl(ethyl)amino]-2,2-dimethyl-1-phenylpropan-1-one (CID 107401488) is 3-[cyclobutylmethyl(ethyl)amino]-2,2-dimethyl-1-phenylpropan-1-one.
What is the SMILES notation for 3-[cyclobutylmethyl(ethyl)amino]-2,2-dimethyl-1-phenylpropan-1-one?
The canonical SMILES for 3-[cyclobutylmethyl(ethyl)amino]-2,2-dimethyl-1-phenylpropan-1-one is CCN(CC1CCC1)CC(C)(C)C(=O)c1ccccc1.
What is the InChIKey of 3-[cyclobutylmethyl(ethyl)amino]-2,2-dimethyl-1-phenylpropan-1-one?
The InChIKey is YFDIZZIDBWPLGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO/c1-4-19(13-15-9-8-10-15)14-18(2,3)17(20)16-11-6-5-7-12-16/h5-7,11-12,15H,4,8-10,13-14H2,1-3H3.
What are the key properties of 3-[cyclobutylmethyl(ethyl)amino]-2,2-dimethyl-1-phenylpropan-1-one?
3-[cyclobutylmethyl(ethyl)amino]-2,2-dimethyl-1-phenylpropan-1-one has a molecular weight of 273.42 g/mol, XLogP of 4.02, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclobutylmethyl(ethyl)amino]-2,2-dimethyl-1-phenylpropan-1-one is sourced from PubChem (CID 107401488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).