1-phenyl-3-[propan-2-yl(propyl)amino]propan-2-one

C15H23NO — CID 43795409

IUPAC1-phenyl-3-[propan-2-yl(propyl)amino]propan-2-one
SMILESCCCN(CC(=O)Cc1ccccc1)C(C)C
InChIInChI=1S/C15H23NO/c1-4-10-16(13(2)3)12-15(17)11-14-8-6-5-7-9-14/h5-9,13H,4,10-12H2,1-3H3
InChIKeyNFUBVXDHMPMCOW-UHFFFAOYSA-N
MW233.36 g/mol
LogP2.92
Rot. Bonds7

About 1-phenyl-3-[propan-2-yl(propyl)amino]propan-2-one

1-phenyl-3-[propan-2-yl(propyl)amino]propan-2-one (PubChem CID 43795409) has the molecular formula C15H23NO and a molecular weight of 233.36 g/mol. Its IUPAC name is 1-phenyl-3-[propan-2-yl(propyl)amino]propan-2-one.

Molecular Properties

Compound Name1-phenyl-3-[propan-2-yl(propyl)amino]propan-2-one
PubChem CID43795409
Molecular FormulaC15H23NO
Molecular Weight233.36 g/mol
Exact Mass233.18
IUPAC Name1-phenyl-3-[propan-2-yl(propyl)amino]propan-2-one
SMILESCCCN(CC(=O)Cc1ccccc1)C(C)C
InChIInChI=1S/C15H23NO/c1-4-10-16(13(2)3)12-15(17)11-14-8-6-5-7-9-14/h5-9,13H,4,10-12H2,1-3H3
InChIKeyNFUBVXDHMPMCOW-UHFFFAOYSA-N
XLogP2.92
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-hydroxyethyl(propan-2-yl)amino]-3-phenylpropan-2-one
CID 62030901
1-[methyl(2-methylbutyl)amino]-3-phenylpropan-2-one
CID 43796143
3-[[3-(4-fluorophenyl)-2-oxopropyl]-propan-2-ylamino]propanenitrile
CID 62035070
1-[1-methoxypropan-2-yl(methyl)amino]-3-phenylpropan-2-one
CID 54946725
3-[2-methylpropyl-(2-oxo-3-phenylpropyl)amino]propanenitrile
CID 62051467
1-(2-fluorophenyl)-3-[2-hydroxyethyl(propan-2-yl)amino]propan-2-one
CID 62031287
1,3-diphenyl(213C)propan-2-one
CID 100945080
1-[propan-2-yl(propyl)amino]propan-2-one
CID 43795396
1-[butan-2-yl(ethyl)amino]-3-(4-fluorophenyl)propan-2-one
CID 43795966
1-[methyl(2-methylsulfonylethyl)amino]-3-phenylpropan-2-one
CID 79850568
2-[1-(2-hydroxyphenyl)ethyl-propylamino]acetic acid
CID 65064982
1-ethylsulfonyl-3-phenylpropan-2-one
CID 64642935

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-3-[propan-2-yl(propyl)amino]propan-2-one?
The IUPAC name of 1-phenyl-3-[propan-2-yl(propyl)amino]propan-2-one (CID 43795409) is 1-phenyl-3-[propan-2-yl(propyl)amino]propan-2-one.
What is the SMILES notation for 1-phenyl-3-[propan-2-yl(propyl)amino]propan-2-one?
The canonical SMILES for 1-phenyl-3-[propan-2-yl(propyl)amino]propan-2-one is CCCN(CC(=O)Cc1ccccc1)C(C)C.
What is the InChIKey of 1-phenyl-3-[propan-2-yl(propyl)amino]propan-2-one?
The InChIKey is NFUBVXDHMPMCOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-4-10-16(13(2)3)12-15(17)11-14-8-6-5-7-9-14/h5-9,13H,4,10-12H2,1-3H3.
What are the key properties of 1-phenyl-3-[propan-2-yl(propyl)amino]propan-2-one?
1-phenyl-3-[propan-2-yl(propyl)amino]propan-2-one has a molecular weight of 233.36 g/mol, XLogP of 2.92, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-3-[propan-2-yl(propyl)amino]propan-2-one is sourced from PubChem (CID 43795409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).