2-[cyclobutylmethyl(ethyl)amino]-1-(2,4-dihydroxyphenyl)ethanone

C15H21NO3 — CID 107399788

IUPAC2-[cyclobutylmethyl(ethyl)amino]-1-(2,4-dihydroxyphenyl)ethanone
SMILESCCN(CC(=O)c1ccc(O)cc1O)CC1CCC1
InChIInChI=1S/C15H21NO3/c1-2-16(9-11-4-3-5-11)10-15(19)13-7-6-12(17)8-14(13)18/h6-8,11,17-18H,2-5,9-10H2,1H3
InChIKeyVUXJOIXTWRGLBP-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.40
Rot. Bonds6

About 2-[cyclobutylmethyl(ethyl)amino]-1-(2,4-dihydroxyphenyl)ethanone

2-[cyclobutylmethyl(ethyl)amino]-1-(2,4-dihydroxyphenyl)ethanone (PubChem CID 107399788) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 2-[cyclobutylmethyl(ethyl)amino]-1-(2,4-dihydroxyphenyl)ethanone.

Molecular Properties

Compound Name2-[cyclobutylmethyl(ethyl)amino]-1-(2,4-dihydroxyphenyl)ethanone
PubChem CID107399788
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name2-[cyclobutylmethyl(ethyl)amino]-1-(2,4-dihydroxyphenyl)ethanone
SMILESCCN(CC(=O)c1ccc(O)cc1O)CC1CCC1
InChIInChI=1S/C15H21NO3/c1-2-16(9-11-4-3-5-11)10-15(19)13-7-6-12(17)8-14(13)18/h6-8,11,17-18H,2-5,9-10H2,1H3
InChIKeyVUXJOIXTWRGLBP-UHFFFAOYSA-N
XLogP2.40
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Ethyl 1-[2-(2,4-dihydroxy-3-methylphenyl)-2-oxoethyl]piperidine-4-carboxylate
CID 7198534
1-(2,4-Dihydroxy-3-methylphenyl)-2-(2,6-dimethylmorpholin-4-yl)ethanone
CID 16807625
Ethyl 4-[2-(2,4-dihydroxyphenyl)-2-oxoethyl]piperazine-1-carboxylate
CID 7198537
2-(4-Benzylpiperazin-1-yl)-1-(2,4-dihydroxy-3-methylphenyl)ethanone
CID 7198542
Crl 40598
CID 183805
3-[(Diethylamino)methyl]-2,4-dihydroxybenzaldehyde
CID 11172107
4-Piperidin-1-yl-1-(2,4,6-trihydroxyphenyl)butan-1-one;hydrochloride
CID 134132153
4-[Cyclohexyl(methyl)amino]-1-(2,4,6-trihydroxyphenyl)butan-1-one;hydrochloride
CID 134155740
2',4',6'-Trihydroxy-4-(pyrrolidin-1-yl)butyrophenone
CID 183806
5-(2,4-Dihydroxybenzoyl)-1-hexylpyridin-2(1H)-one (32)
CID 74983127
(E)-3-(4-benzylpiperidin-1-yl)-1-(2,4-dihydroxyphenyl)prop-2-en-1-one
CID 46227240
2-(Dimethylamino)-1-(2-hydroxyphenyl)ethanone
CID 546921

Frequently Asked Questions

What is the IUPAC name of 2-[cyclobutylmethyl(ethyl)amino]-1-(2,4-dihydroxyphenyl)ethanone?
The IUPAC name of 2-[cyclobutylmethyl(ethyl)amino]-1-(2,4-dihydroxyphenyl)ethanone (CID 107399788) is 2-[cyclobutylmethyl(ethyl)amino]-1-(2,4-dihydroxyphenyl)ethanone.
What is the SMILES notation for 2-[cyclobutylmethyl(ethyl)amino]-1-(2,4-dihydroxyphenyl)ethanone?
The canonical SMILES for 2-[cyclobutylmethyl(ethyl)amino]-1-(2,4-dihydroxyphenyl)ethanone is CCN(CC(=O)c1ccc(O)cc1O)CC1CCC1.
What is the InChIKey of 2-[cyclobutylmethyl(ethyl)amino]-1-(2,4-dihydroxyphenyl)ethanone?
The InChIKey is VUXJOIXTWRGLBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-2-16(9-11-4-3-5-11)10-15(19)13-7-6-12(17)8-14(13)18/h6-8,11,17-18H,2-5,9-10H2,1H3.
What are the key properties of 2-[cyclobutylmethyl(ethyl)amino]-1-(2,4-dihydroxyphenyl)ethanone?
2-[cyclobutylmethyl(ethyl)amino]-1-(2,4-dihydroxyphenyl)ethanone has a molecular weight of 263.34 g/mol, XLogP of 2.40, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclobutylmethyl(ethyl)amino]-1-(2,4-dihydroxyphenyl)ethanone is sourced from PubChem (CID 107399788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).