1-(4-chlorophenyl)-2-[cyclobutyl(3-hydroxypropyl)amino]ethanone

C15H20ClNO2 — CID 102864346

IUPAC1-(4-chlorophenyl)-2-[cyclobutyl(3-hydroxypropyl)amino]ethanone
SMILESO=C(CN(CCCO)C1CCC1)c1ccc(Cl)cc1
InChIInChI=1S/C15H20ClNO2/c16-13-7-5-12(6-8-13)15(19)11-17(9-2-10-18)14-3-1-4-14/h5-8,14,18H,1-4,9-11H2
InChIKeyROWWMGVCFZBWCI-UHFFFAOYSA-N
MW281.78 g/mol
LogP2.76
Rot. Bonds7

About 1-(4-chlorophenyl)-2-[cyclobutyl(3-hydroxypropyl)amino]ethanone

1-(4-chlorophenyl)-2-[cyclobutyl(3-hydroxypropyl)amino]ethanone (PubChem CID 102864346) has the molecular formula C15H20ClNO2 and a molecular weight of 281.78 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-2-[cyclobutyl(3-hydroxypropyl)amino]ethanone.

Molecular Properties

Compound Name1-(4-chlorophenyl)-2-[cyclobutyl(3-hydroxypropyl)amino]ethanone
PubChem CID102864346
Molecular FormulaC15H20ClNO2
Molecular Weight281.78 g/mol
Exact Mass281.12
IUPAC Name1-(4-chlorophenyl)-2-[cyclobutyl(3-hydroxypropyl)amino]ethanone
SMILESO=C(CN(CCCO)C1CCC1)c1ccc(Cl)cc1
InChIInChI=1S/C15H20ClNO2/c16-13-7-5-12(6-8-13)15(19)11-17(9-2-10-18)14-3-1-4-14/h5-8,14,18H,1-4,9-11H2
InChIKeyROWWMGVCFZBWCI-UHFFFAOYSA-N
XLogP2.76
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.78
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-bromophenyl)-2-[cyclobutyl(2-hydroxyethyl)amino]ethanone
CID 102864528
2-[cyclobutyl(3-hydroxypropyl)amino]-1-(2,5-difluorophenyl)ethanone
CID 102864457
1-(4-chlorophenyl)-2-[cyclohexyl(methyl)amino]ethanone
CID 43219367
3-[cyclobutyl(3-hydroxypropyl)amino]-1-(4-methylphenyl)propan-1-one
CID 102848375
2-[cyclobutyl(3-hydroxypropyl)amino]-N-(2,5-dichlorophenyl)acetamide
CID 102848440
3-[2-(4-chlorophenyl)sulfonylethyl-cyclobutylamino]propan-1-ol
CID 102848383
2-[cyclopropyl(2-hydroxyethyl)amino]-1-(4-propan-2-ylphenyl)ethanone
CID 62031291
2-[cyclopentyl(2-hydroxyethyl)amino]-1-(4-nitrophenyl)ethanone
CID 62035507
3-[butyl(cyclopropyl)amino]-1-(4-chlorophenyl)propan-1-one
CID 62618347
2-(4-chlorophenyl)-N-cyclobutyl-N-(3-hydroxypropyl)acetamide
CID 102866603
N-[2-[cyclobutyl(3-hydroxypropyl)amino]acetyl]benzamide
CID 102858422
N-[(4-chlorophenyl)methyl]-2-[cyclopentyl(2-hydroxyethyl)amino]acetamide
CID 60912428

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-2-[cyclobutyl(3-hydroxypropyl)amino]ethanone?
The IUPAC name of 1-(4-chlorophenyl)-2-[cyclobutyl(3-hydroxypropyl)amino]ethanone (CID 102864346) is 1-(4-chlorophenyl)-2-[cyclobutyl(3-hydroxypropyl)amino]ethanone.
What is the SMILES notation for 1-(4-chlorophenyl)-2-[cyclobutyl(3-hydroxypropyl)amino]ethanone?
The canonical SMILES for 1-(4-chlorophenyl)-2-[cyclobutyl(3-hydroxypropyl)amino]ethanone is O=C(CN(CCCO)C1CCC1)c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-2-[cyclobutyl(3-hydroxypropyl)amino]ethanone?
The InChIKey is ROWWMGVCFZBWCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO2/c16-13-7-5-12(6-8-13)15(19)11-17(9-2-10-18)14-3-1-4-14/h5-8,14,18H,1-4,9-11H2.
What are the key properties of 1-(4-chlorophenyl)-2-[cyclobutyl(3-hydroxypropyl)amino]ethanone?
1-(4-chlorophenyl)-2-[cyclobutyl(3-hydroxypropyl)amino]ethanone has a molecular weight of 281.78 g/mol, XLogP of 2.76, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-2-[cyclobutyl(3-hydroxypropyl)amino]ethanone is sourced from PubChem (CID 102864346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).