3-[benzyl-(3-oxo-3-phenylpropyl)amino]-1-phenylpropan-1-one

C25H25NO2 — CID 135021147

IUPAC3-[benzyl-(3-oxo-3-phenylpropyl)amino]-1-phenylpropan-1-one
SMILESO=C(CCN(CCC(=O)c1ccccc1)Cc1ccccc1)c1ccccc1
InChIInChI=1S/C25H25NO2/c27-24(22-12-6-2-7-13-22)16-18-26(20-21-10-4-1-5-11-21)19-17-25(28)23-14-8-3-9-15-23/h1-15H,16-20H2
InChIKeyRXASUUPXLJXRMT-UHFFFAOYSA-N
MW371.48 g/mol
LogP5.03
Rot. Bonds10

About 3-[benzyl-(3-oxo-3-phenylpropyl)amino]-1-phenylpropan-1-one

3-[benzyl-(3-oxo-3-phenylpropyl)amino]-1-phenylpropan-1-one (PubChem CID 135021147) has the molecular formula C25H25NO2 and a molecular weight of 371.48 g/mol. Its IUPAC name is 3-[benzyl-(3-oxo-3-phenylpropyl)amino]-1-phenylpropan-1-one.

Molecular Properties

Compound Name3-[benzyl-(3-oxo-3-phenylpropyl)amino]-1-phenylpropan-1-one
PubChem CID135021147
Molecular FormulaC25H25NO2
Molecular Weight371.48 g/mol
Exact Mass371.19
IUPAC Name3-[benzyl-(3-oxo-3-phenylpropyl)amino]-1-phenylpropan-1-one
SMILESO=C(CCN(CCC(=O)c1ccccc1)Cc1ccccc1)c1ccccc1
InChIInChI=1S/C25H25NO2/c27-24(22-12-6-2-7-13-22)16-18-26(20-21-10-4-1-5-11-21)19-17-25(28)23-14-8-3-9-15-23/h1-15H,16-20H2
InChIKeyRXASUUPXLJXRMT-UHFFFAOYSA-N
XLogP5.03
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.48
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(dibenzylamino)-1-(4-methylphenyl)propan-1-one;hydrochloride
CID 3064601
2-[benzyl(phenacyl)amino]-1-phenylethanone;hydrobromide
CID 14149400
3-[bis(2-hydroxyethyl)amino]-1-phenylpropan-1-one
CID 62611924
3-(diethylamino)-1-phenylpropan-1-one;hydrochloride
CID 13496280
azane;3-(dibenzylamino)propanoic acid
CID 162310692
3-[benzyl(2-hydroxyethyl)amino]propanoic acid
CID 43841843
3-[ethyl(propyl)amino]-1-phenylpropan-1-one
CID 62614249
3-(dibutylamino)-1-phenylpropan-1-one
CID 62614247
1-(3-amino-4-methylphenyl)-3-[benzyl(2-hydroxyethyl)amino]propan-1-one
CID 94723325
4-(dibenzylamino)-1-pyridin-3-ylbutan-1-one
CID 166171937
3-[benzyl(phenacyl)amino]propanenitrile
CID 12922240
4-[benzyl(methyl)amino]-1-[4-[4-[benzyl(methyl)amino]butanoyl]phenyl]butan-1-one;dihydrochloride
CID 52997459

Frequently Asked Questions

What is the IUPAC name of 3-[benzyl-(3-oxo-3-phenylpropyl)amino]-1-phenylpropan-1-one?
The IUPAC name of 3-[benzyl-(3-oxo-3-phenylpropyl)amino]-1-phenylpropan-1-one (CID 135021147) is 3-[benzyl-(3-oxo-3-phenylpropyl)amino]-1-phenylpropan-1-one.
What is the SMILES notation for 3-[benzyl-(3-oxo-3-phenylpropyl)amino]-1-phenylpropan-1-one?
The canonical SMILES for 3-[benzyl-(3-oxo-3-phenylpropyl)amino]-1-phenylpropan-1-one is O=C(CCN(CCC(=O)c1ccccc1)Cc1ccccc1)c1ccccc1.
What is the InChIKey of 3-[benzyl-(3-oxo-3-phenylpropyl)amino]-1-phenylpropan-1-one?
The InChIKey is RXASUUPXLJXRMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25NO2/c27-24(22-12-6-2-7-13-22)16-18-26(20-21-10-4-1-5-11-21)19-17-25(28)23-14-8-3-9-15-23/h1-15H,16-20H2.
What are the key properties of 3-[benzyl-(3-oxo-3-phenylpropyl)amino]-1-phenylpropan-1-one?
3-[benzyl-(3-oxo-3-phenylpropyl)amino]-1-phenylpropan-1-one has a molecular weight of 371.48 g/mol, XLogP of 5.03, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[benzyl-(3-oxo-3-phenylpropyl)amino]-1-phenylpropan-1-one is sourced from PubChem (CID 135021147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).