4-[ethyl(propyl)amino]-1-phenylbutan-1-one

C15H23NO — CID 43792935

IUPAC4-[ethyl(propyl)amino]-1-phenylbutan-1-one
SMILESCCCN(CC)CCCC(=O)c1ccccc1
InChIInChI=1S/C15H23NO/c1-3-12-16(4-2)13-8-11-15(17)14-9-6-5-7-10-14/h5-7,9-10H,3-4,8,11-13H2,1-2H3
InChIKeyBZIJRYDXHSZVCU-UHFFFAOYSA-N
MW233.36 g/mol
LogP3.38
Rot. Bonds8

About 4-[ethyl(propyl)amino]-1-phenylbutan-1-one

4-[ethyl(propyl)amino]-1-phenylbutan-1-one (PubChem CID 43792935) has the molecular formula C15H23NO and a molecular weight of 233.36 g/mol. Its IUPAC name is 4-[ethyl(propyl)amino]-1-phenylbutan-1-one.

Molecular Properties

Compound Name4-[ethyl(propyl)amino]-1-phenylbutan-1-one
PubChem CID43792935
Molecular FormulaC15H23NO
Molecular Weight233.36 g/mol
Exact Mass233.18
IUPAC Name4-[ethyl(propyl)amino]-1-phenylbutan-1-one
SMILESCCCN(CC)CCCC(=O)c1ccccc1
InChIInChI=1S/C15H23NO/c1-3-12-16(4-2)13-8-11-15(17)14-9-6-5-7-10-14/h5-7,9-10H,3-4,8,11-13H2,1-2H3
InChIKeyBZIJRYDXHSZVCU-UHFFFAOYSA-N
XLogP3.38
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[ethyl(propyl)amino]-1-phenylpropan-1-one
CID 62614249
4-[ethyl(propyl)amino]-1-(4-fluorophenyl)butan-1-one
CID 43792937
2-[ethyl(propyl)amino]-1-phenylethanone
CID 43795306
ethane;1-phenylpentan-1-one
CID 143728184
3-(dibutylamino)-1-phenylpropan-1-one
CID 62614247
N-ethyl-2-[ethyl-(4-oxo-4-phenylbutyl)amino]acetamide
CID 60695594
3-(diethylamino)-1-phenylpropan-1-one;hydrochloride
CID 13496280
4-(diethylamino)-1-(4-hydroxyphenyl)butan-1-one
CID 141149368
1-phenylheptadecan-1-one
CID 577626
1-phenylbutan-1-one
CID 10315
4-[3-(dimethylamino)propyl-ethylamino]-1-(4-fluorophenyl)butan-1-one
CID 102995017
N,N-diethyl-2-[methyl-(4-oxo-4-phenylbutyl)amino]acetamide
CID 60695015

Frequently Asked Questions

What is the IUPAC name of 4-[ethyl(propyl)amino]-1-phenylbutan-1-one?
The IUPAC name of 4-[ethyl(propyl)amino]-1-phenylbutan-1-one (CID 43792935) is 4-[ethyl(propyl)amino]-1-phenylbutan-1-one.
What is the SMILES notation for 4-[ethyl(propyl)amino]-1-phenylbutan-1-one?
The canonical SMILES for 4-[ethyl(propyl)amino]-1-phenylbutan-1-one is CCCN(CC)CCCC(=O)c1ccccc1.
What is the InChIKey of 4-[ethyl(propyl)amino]-1-phenylbutan-1-one?
The InChIKey is BZIJRYDXHSZVCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-3-12-16(4-2)13-8-11-15(17)14-9-6-5-7-10-14/h5-7,9-10H,3-4,8,11-13H2,1-2H3.
What are the key properties of 4-[ethyl(propyl)amino]-1-phenylbutan-1-one?
4-[ethyl(propyl)amino]-1-phenylbutan-1-one has a molecular weight of 233.36 g/mol, XLogP of 3.38, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[ethyl(propyl)amino]-1-phenylbutan-1-one is sourced from PubChem (CID 43792935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).