1-(4-benzylphenyl)-3-(propan-2-ylamino)propan-1-one

C19H23NO — CID 163635325

IUPAC1-(4-benzylphenyl)-3-(propan-2-ylamino)propan-1-one
SMILESCC(C)NCCC(=O)c1ccc(Cc2ccccc2)cc1
InChIInChI=1S/C19H23NO/c1-15(2)20-13-12-19(21)18-10-8-17(9-11-18)14-16-6-4-3-5-7-16/h3-11,15,20H,12-14H2,1-2H3
InChIKeyHZPBNWUAAJTVEZ-UHFFFAOYSA-N
MW281.40 g/mol
LogP3.85
Rot. Bonds7

About 1-(4-benzylphenyl)-3-(propan-2-ylamino)propan-1-one

1-(4-benzylphenyl)-3-(propan-2-ylamino)propan-1-one (PubChem CID 163635325) has the molecular formula C19H23NO and a molecular weight of 281.40 g/mol. Its IUPAC name is 1-(4-benzylphenyl)-3-(propan-2-ylamino)propan-1-one.

Molecular Properties

Compound Name1-(4-benzylphenyl)-3-(propan-2-ylamino)propan-1-one
PubChem CID163635325
Molecular FormulaC19H23NO
Molecular Weight281.40 g/mol
Exact Mass281.18
IUPAC Name1-(4-benzylphenyl)-3-(propan-2-ylamino)propan-1-one
SMILESCC(C)NCCC(=O)c1ccc(Cc2ccccc2)cc1
InChIInChI=1S/C19H23NO/c1-15(2)20-13-12-19(21)18-10-8-17(9-11-18)14-16-6-4-3-5-7-16/h3-11,15,20H,12-14H2,1-2H3
InChIKeyHZPBNWUAAJTVEZ-UHFFFAOYSA-N
XLogP3.85
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(butan-2-ylamino)-1-phenylpropan-1-one
CID 112509787
4-(4-benzylphenyl)-4-oxobutanoate
CID 6963888
1,2-bis(4-benzylphenyl)ethane-1,2-dione
CID 141311981
3-[[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]amino]-1-phenylpropan-1-one
CID 122190791
ethyl (2S)-2-[(3-oxo-3-phenylpropyl)amino]propanoate
CID 2069021
1-(3-aminophenyl)-3-(propan-2-ylamino)propan-1-one
CID 96657468
ethane;3-(methylamino)-1-phenylpropan-1-one
CID 91239900
N-benzyl-N-ethyl-3-(propan-2-ylamino)propanamide
CID 60854868
1-(1,3-benzodioxol-5-yl)-3-(propan-2-ylamino)propan-1-one
CID 94262548
N-[[4-[2-(propan-2-ylamino)acetyl]phenyl]methyl]benzamide
CID 148634937
3-[(4-acetylphenyl)methylamino]-1-phenylpropan-1-one
CID 71326148
1-naphthalen-2-yl-3-(1-phenylethylamino)propan-1-one
CID 70926564

Frequently Asked Questions

What is the IUPAC name of 1-(4-benzylphenyl)-3-(propan-2-ylamino)propan-1-one?
The IUPAC name of 1-(4-benzylphenyl)-3-(propan-2-ylamino)propan-1-one (CID 163635325) is 1-(4-benzylphenyl)-3-(propan-2-ylamino)propan-1-one.
What is the SMILES notation for 1-(4-benzylphenyl)-3-(propan-2-ylamino)propan-1-one?
The canonical SMILES for 1-(4-benzylphenyl)-3-(propan-2-ylamino)propan-1-one is CC(C)NCCC(=O)c1ccc(Cc2ccccc2)cc1.
What is the InChIKey of 1-(4-benzylphenyl)-3-(propan-2-ylamino)propan-1-one?
The InChIKey is HZPBNWUAAJTVEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO/c1-15(2)20-13-12-19(21)18-10-8-17(9-11-18)14-16-6-4-3-5-7-16/h3-11,15,20H,12-14H2,1-2H3.
What are the key properties of 1-(4-benzylphenyl)-3-(propan-2-ylamino)propan-1-one?
1-(4-benzylphenyl)-3-(propan-2-ylamino)propan-1-one has a molecular weight of 281.40 g/mol, XLogP of 3.85, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-benzylphenyl)-3-(propan-2-ylamino)propan-1-one is sourced from PubChem (CID 163635325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).