4-[methyl(oxan-3-ylmethyl)amino]-1-phenylbutan-1-one

C17H25NO2 — CID 63712078

IUPAC4-[methyl(oxan-3-ylmethyl)amino]-1-phenylbutan-1-one
SMILESCN(CCCC(=O)c1ccccc1)CC1CCCOC1
InChIInChI=1S/C17H25NO2/c1-18(13-15-7-6-12-20-14-15)11-5-10-17(19)16-8-3-2-4-9-16/h2-4,8-9,15H,5-7,10-14H2,1H3
InChIKeyXZRCNECFTIWWRR-UHFFFAOYSA-N
MW275.39 g/mol
LogP3.01
Rot. Bonds7

About 4-[methyl(oxan-3-ylmethyl)amino]-1-phenylbutan-1-one

4-[methyl(oxan-3-ylmethyl)amino]-1-phenylbutan-1-one (PubChem CID 63712078) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is 4-[methyl(oxan-3-ylmethyl)amino]-1-phenylbutan-1-one.

Molecular Properties

Compound Name4-[methyl(oxan-3-ylmethyl)amino]-1-phenylbutan-1-one
PubChem CID63712078
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Name4-[methyl(oxan-3-ylmethyl)amino]-1-phenylbutan-1-one
SMILESCN(CCCC(=O)c1ccccc1)CC1CCCOC1
InChIInChI=1S/C17H25NO2/c1-18(13-15-7-6-12-20-14-15)11-5-10-17(19)16-8-3-2-4-9-16/h2-4,8-9,15H,5-7,10-14H2,1H3
InChIKeyXZRCNECFTIWWRR-UHFFFAOYSA-N
XLogP3.01
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-bromophenyl)-3-[methyl(oxan-3-ylmethyl)amino]propan-1-one
CID 63712506
1-(4-bromophenyl)-4-[methyl(oxan-4-ylmethyl)amino]butan-1-one
CID 63711732
3-[methyl(oxan-3-ylmethyl)amino]-2-phenylpropanoic acid
CID 63707876
N-methyl-3-(2-methylphenoxy)-N-[[(3S)-oxan-3-yl]methyl]propan-1-amine
CID 124548860
2-[methyl(oxan-3-ylmethyl)amino]-1-(4-propan-2-ylphenyl)ethanone
CID 63713462
1-(4-methoxyphenyl)-2-[methyl(oxan-3-ylmethyl)amino]ethanone
CID 63712788
4-[cyclopropyl(methyl)amino]-1-phenylbutan-1-one
CID 43792894
3-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]-1-phenylpropan-1-one
CID 63236356
1-(3,4-dimethylphenyl)-2-[methyl(oxan-3-ylmethyl)amino]ethanone
CID 63713632
2-amino-2-ethyl-5-[methyl(oxan-3-ylmethyl)amino]pentanoic acid
CID 106806273
2-amino-2-methyl-5-[methyl(oxan-3-ylmethyl)amino]pentanamide
CID 55226248
N'-methyl-N'-(oxan-3-ylmethyl)pentane-1,5-diamine
CID 63725582

Frequently Asked Questions

What is the IUPAC name of 4-[methyl(oxan-3-ylmethyl)amino]-1-phenylbutan-1-one?
The IUPAC name of 4-[methyl(oxan-3-ylmethyl)amino]-1-phenylbutan-1-one (CID 63712078) is 4-[methyl(oxan-3-ylmethyl)amino]-1-phenylbutan-1-one.
What is the SMILES notation for 4-[methyl(oxan-3-ylmethyl)amino]-1-phenylbutan-1-one?
The canonical SMILES for 4-[methyl(oxan-3-ylmethyl)amino]-1-phenylbutan-1-one is CN(CCCC(=O)c1ccccc1)CC1CCCOC1.
What is the InChIKey of 4-[methyl(oxan-3-ylmethyl)amino]-1-phenylbutan-1-one?
The InChIKey is XZRCNECFTIWWRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-18(13-15-7-6-12-20-14-15)11-5-10-17(19)16-8-3-2-4-9-16/h2-4,8-9,15H,5-7,10-14H2,1H3.
What are the key properties of 4-[methyl(oxan-3-ylmethyl)amino]-1-phenylbutan-1-one?
4-[methyl(oxan-3-ylmethyl)amino]-1-phenylbutan-1-one has a molecular weight of 275.39 g/mol, XLogP of 3.01, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl(oxan-3-ylmethyl)amino]-1-phenylbutan-1-one is sourced from PubChem (CID 63712078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).