3-(dibutylamino)-1-phenylpropan-1-one

C17H27NO — CID 62614247

IUPAC3-(dibutylamino)-1-phenylpropan-1-one
SMILESCCCCN(CCCC)CCC(=O)c1ccccc1
InChIInChI=1S/C17H27NO/c1-3-5-13-18(14-6-4-2)15-12-17(19)16-10-8-7-9-11-16/h7-11H,3-6,12-15H2,1-2H3
InChIKeyRCKKHGIPQATSOU-UHFFFAOYSA-N
MW261.41 g/mol
LogP4.16
Rot. Bonds10

About 3-(dibutylamino)-1-phenylpropan-1-one

3-(dibutylamino)-1-phenylpropan-1-one (PubChem CID 62614247) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is 3-(dibutylamino)-1-phenylpropan-1-one.

Molecular Properties

Compound Name3-(dibutylamino)-1-phenylpropan-1-one
PubChem CID62614247
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name3-(dibutylamino)-1-phenylpropan-1-one
SMILESCCCCN(CCCC)CCC(=O)c1ccccc1
InChIInChI=1S/C17H27NO/c1-3-5-13-18(14-6-4-2)15-12-17(19)16-10-8-7-9-11-16/h7-11H,3-6,12-15H2,1-2H3
InChIKeyRCKKHGIPQATSOU-UHFFFAOYSA-N
XLogP4.16
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;1-phenylpentan-1-one
CID 143728184
3-[ethyl(propyl)amino]-1-phenylpropan-1-one
CID 62614249
3-(diethylamino)-1-phenylpropan-1-one;hydrochloride
CID 13496280
3-[bis(2-hydroxyethyl)amino]-1-phenylpropan-1-one
CID 62611924
4-[ethyl(propyl)amino]-1-phenylbutan-1-one
CID 43792935
N,N-dibutyl-4-oxo-4-phenylbutanamide
CID 10684868
1-phenylheptadecan-1-one
CID 577626
3-(dibutylamino)-1-(4-propoxyphenyl)propan-1-one;hydrochloride
CID 3066651
benzoic acid;N,N-dioctyloctan-1-amine
CID 68632101
1-phenylbutan-1-one
CID 10315
1-phenylbutan-1-one;hydrobromide
CID 139638507
3-[benzyl-(3-oxo-3-phenylpropyl)amino]-1-phenylpropan-1-one
CID 135021147

Frequently Asked Questions

What is the IUPAC name of 3-(dibutylamino)-1-phenylpropan-1-one?
The IUPAC name of 3-(dibutylamino)-1-phenylpropan-1-one (CID 62614247) is 3-(dibutylamino)-1-phenylpropan-1-one.
What is the SMILES notation for 3-(dibutylamino)-1-phenylpropan-1-one?
The canonical SMILES for 3-(dibutylamino)-1-phenylpropan-1-one is CCCCN(CCCC)CCC(=O)c1ccccc1.
What is the InChIKey of 3-(dibutylamino)-1-phenylpropan-1-one?
The InChIKey is RCKKHGIPQATSOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-3-5-13-18(14-6-4-2)15-12-17(19)16-10-8-7-9-11-16/h7-11H,3-6,12-15H2,1-2H3.
What are the key properties of 3-(dibutylamino)-1-phenylpropan-1-one?
3-(dibutylamino)-1-phenylpropan-1-one has a molecular weight of 261.41 g/mol, XLogP of 4.16, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dibutylamino)-1-phenylpropan-1-one is sourced from PubChem (CID 62614247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).