3-[di(propan-2-yl)amino]-1-(4-methylphenyl)propan-1-one

C16H25NO — CID 174749229

IUPAC3-[di(propan-2-yl)amino]-1-(4-methylphenyl)propan-1-one
SMILESCc1ccc(C(=O)CCN(C(C)C)C(C)C)cc1
InChIInChI=1S/C16H25NO/c1-12(2)17(13(3)4)11-10-16(18)15-8-6-14(5)7-9-15/h6-9,12-13H,10-11H2,1-5H3
InChIKeyFVRNXONOWNHYNW-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.69
Rot. Bonds6

About 3-[di(propan-2-yl)amino]-1-(4-methylphenyl)propan-1-one

3-[di(propan-2-yl)amino]-1-(4-methylphenyl)propan-1-one (PubChem CID 174749229) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 3-[di(propan-2-yl)amino]-1-(4-methylphenyl)propan-1-one.

Molecular Properties

Compound Name3-[di(propan-2-yl)amino]-1-(4-methylphenyl)propan-1-one
PubChem CID174749229
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name3-[di(propan-2-yl)amino]-1-(4-methylphenyl)propan-1-one
SMILESCc1ccc(C(=O)CCN(C(C)C)C(C)C)cc1
InChIInChI=1S/C16H25NO/c1-12(2)17(13(3)4)11-10-16(18)15-8-6-14(5)7-9-15/h6-9,12-13H,10-11H2,1-5H3
InChIKeyFVRNXONOWNHYNW-UHFFFAOYSA-N
XLogP3.69
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-methylphenyl)-3-[2-methylpropyl(propan-2-yl)amino]propan-1-one
CID 62613655
3-[ethyl(2-methylpropyl)amino]-1-(4-methylphenyl)propan-1-one
CID 62611644
3-[2-methoxyethyl(1-methoxypropan-2-yl)amino]-1-(4-methylphenyl)propan-1-one
CID 62613959
3-[methyl(2-methylsulfanylethyl)amino]-1-(4-methylphenyl)propan-1-one
CID 112664511
3-(N-methylanilino)-1-(4-methylphenyl)propan-1-one
CID 62612961
3-fluoro-1-(4-methylphenyl)propan-1-one
CID 89142724
(2R)-2-methyl-5-(4-methylphenyl)-5-oxopentanal
CID 102367867
[3-(4-methylphenyl)-3-oxopropyl]-propan-2-ylazanium chloride
CID 139084674
3-[(4-fluorophenyl)methyl-methylamino]-1-(4-methylphenyl)propan-1-one
CID 62612670
3-(dibenzylamino)-1-(4-methylphenyl)propan-1-one;hydrochloride
CID 3064601
3-[cycloheptyl(methyl)amino]-1-(4-methylphenyl)propan-1-one
CID 62612486
2-methyl-6-(4-methylphenyl)-6-oxohexanoic acid
CID 22420412

Frequently Asked Questions

What is the IUPAC name of 3-[di(propan-2-yl)amino]-1-(4-methylphenyl)propan-1-one?
The IUPAC name of 3-[di(propan-2-yl)amino]-1-(4-methylphenyl)propan-1-one (CID 174749229) is 3-[di(propan-2-yl)amino]-1-(4-methylphenyl)propan-1-one.
What is the SMILES notation for 3-[di(propan-2-yl)amino]-1-(4-methylphenyl)propan-1-one?
The canonical SMILES for 3-[di(propan-2-yl)amino]-1-(4-methylphenyl)propan-1-one is Cc1ccc(C(=O)CCN(C(C)C)C(C)C)cc1.
What is the InChIKey of 3-[di(propan-2-yl)amino]-1-(4-methylphenyl)propan-1-one?
The InChIKey is FVRNXONOWNHYNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-12(2)17(13(3)4)11-10-16(18)15-8-6-14(5)7-9-15/h6-9,12-13H,10-11H2,1-5H3.
What are the key properties of 3-[di(propan-2-yl)amino]-1-(4-methylphenyl)propan-1-one?
3-[di(propan-2-yl)amino]-1-(4-methylphenyl)propan-1-one has a molecular weight of 247.38 g/mol, XLogP of 3.69, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[di(propan-2-yl)amino]-1-(4-methylphenyl)propan-1-one is sourced from PubChem (CID 174749229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).