4-[(1-hydroxycyclopentyl)methyl-methylamino]-1-phenylbutan-1-one

C17H25NO2 — CID 114950371

IUPAC4-[(1-hydroxycyclopentyl)methyl-methylamino]-1-phenylbutan-1-one
SMILESCN(CCCC(=O)c1ccccc1)CC1(O)CCCC1
InChIInChI=1S/C17H25NO2/c1-18(14-17(20)11-5-6-12-17)13-7-10-16(19)15-8-3-2-4-9-15/h2-4,8-9,20H,5-7,10-14H2,1H3
InChIKeyAMIDVIZPGOZHSA-UHFFFAOYSA-N
MW275.39 g/mol
LogP2.89
Rot. Bonds7

About 4-[(1-hydroxycyclopentyl)methyl-methylamino]-1-phenylbutan-1-one

4-[(1-hydroxycyclopentyl)methyl-methylamino]-1-phenylbutan-1-one (PubChem CID 114950371) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is 4-[(1-hydroxycyclopentyl)methyl-methylamino]-1-phenylbutan-1-one.

Molecular Properties

Compound Name4-[(1-hydroxycyclopentyl)methyl-methylamino]-1-phenylbutan-1-one
PubChem CID114950371
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Name4-[(1-hydroxycyclopentyl)methyl-methylamino]-1-phenylbutan-1-one
SMILESCN(CCCC(=O)c1ccccc1)CC1(O)CCCC1
InChIInChI=1S/C17H25NO2/c1-18(14-17(20)11-5-6-12-17)13-7-10-16(19)15-8-3-2-4-9-15/h2-4,8-9,20H,5-7,10-14H2,1H3
InChIKeyAMIDVIZPGOZHSA-UHFFFAOYSA-N
XLogP2.89
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[cyclopropyl(methyl)amino]-1-phenylbutan-1-one
CID 43792894
3-[(1-hydroxycyclopentyl)methyl-methylamino]-2-methyl-1-phenylpropan-1-one
CID 114953371
1-(4-fluorophenyl)-2-[(1-hydroxycyclopentyl)methyl-methylamino]ethanone
CID 114950412
4-[methyl(3-methylsulfanylpropyl)amino]-1-phenylbutan-1-one
CID 114237475
4-[benzyl(methyl)amino]-1-[4-[4-[benzyl(methyl)amino]butanoyl]phenyl]butan-1-one;dihydrochloride
CID 52997459
4-[(2-fluorophenyl)methyl-methylamino]-1-phenylbutan-1-one
CID 60692532
N,N-diethyl-2-[methyl-(4-oxo-4-phenylbutyl)amino]acetamide
CID 60695015
1-[2-[(1-hydroxycyclopentyl)methyl-methylamino]ethyl]pyridin-2-one
CID 115758436
N-(2-aminophenyl)-3-[(1-hydroxycyclopentyl)methyl-methylamino]propanamide
CID 114948159
4-[methyl(pyridin-2-ylmethyl)amino]-1-phenylbutan-1-one
CID 62050830
4-[furan-2-ylmethyl(methyl)amino]-1-phenylbutan-1-one
CID 60695002
4-[methyl(oxan-3-ylmethyl)amino]-1-phenylbutan-1-one
CID 63712078

Frequently Asked Questions

What is the IUPAC name of 4-[(1-hydroxycyclopentyl)methyl-methylamino]-1-phenylbutan-1-one?
The IUPAC name of 4-[(1-hydroxycyclopentyl)methyl-methylamino]-1-phenylbutan-1-one (CID 114950371) is 4-[(1-hydroxycyclopentyl)methyl-methylamino]-1-phenylbutan-1-one.
What is the SMILES notation for 4-[(1-hydroxycyclopentyl)methyl-methylamino]-1-phenylbutan-1-one?
The canonical SMILES for 4-[(1-hydroxycyclopentyl)methyl-methylamino]-1-phenylbutan-1-one is CN(CCCC(=O)c1ccccc1)CC1(O)CCCC1.
What is the InChIKey of 4-[(1-hydroxycyclopentyl)methyl-methylamino]-1-phenylbutan-1-one?
The InChIKey is AMIDVIZPGOZHSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-18(14-17(20)11-5-6-12-17)13-7-10-16(19)15-8-3-2-4-9-15/h2-4,8-9,20H,5-7,10-14H2,1H3.
What are the key properties of 4-[(1-hydroxycyclopentyl)methyl-methylamino]-1-phenylbutan-1-one?
4-[(1-hydroxycyclopentyl)methyl-methylamino]-1-phenylbutan-1-one has a molecular weight of 275.39 g/mol, XLogP of 2.89, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-hydroxycyclopentyl)methyl-methylamino]-1-phenylbutan-1-one is sourced from PubChem (CID 114950371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).