(2S)-2-(dibenzylamino)-1-phenylpentan-3-one

C25H27NO — CID 11121869

IUPAC(2S)-2-(dibenzylamino)-1-phenylpentan-3-one
SMILESCCC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C25H27NO/c1-2-25(27)24(18-21-12-6-3-7-13-21)26(19-22-14-8-4-9-15-22)20-23-16-10-5-11-17-23/h3-17,24H,2,18-20H2,1H3/t24-/m0/s1
InChIKeyMFQDWPZTNILNOV-DEOSSOPVSA-N
MW357.50 g/mol
LogP5.28
Rot. Bonds9

About (2S)-2-(dibenzylamino)-1-phenylpentan-3-one

(2S)-2-(dibenzylamino)-1-phenylpentan-3-one (PubChem CID 11121869) has the molecular formula C25H27NO and a molecular weight of 357.50 g/mol. Its IUPAC name is (2S)-2-(dibenzylamino)-1-phenylpentan-3-one.

Molecular Properties

Compound Name(2S)-2-(dibenzylamino)-1-phenylpentan-3-one
PubChem CID11121869
Molecular FormulaC25H27NO
Molecular Weight357.50 g/mol
Exact Mass357.21
IUPAC Name(2S)-2-(dibenzylamino)-1-phenylpentan-3-one
SMILESCCC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C25H27NO/c1-2-25(27)24(18-21-12-6-3-7-13-21)26(19-22-14-8-4-9-15-22)20-23-16-10-5-11-17-23/h3-17,24H,2,18-20H2,1H3/t24-/m0/s1
InChIKeyMFQDWPZTNILNOV-DEOSSOPVSA-N
XLogP5.28
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.50
LogP ≤ 55.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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2,6-Di(phenyl)-4-piperidone
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2'-Oxo-pce
CID 132989542
1-benzoyl-2-benzyl-1,2-dihydropyridin-3(6H)-one
CID 16037828
3,5-Diethyl-2,6-diphenylpiperidin-4-one
CID 2729797
N-benzyl-N-methyl-3-phenylpropanamide
CID 670103
Methyl N,N-dibenzyl-L-phenylalaninate
CID 15297227
3-Isopropyl-2,6-diphenyl-piperidin-4-one
CID 2841109
1-(Diphenylmethyl)azetidin-3-one
CID 3735558

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(dibenzylamino)-1-phenylpentan-3-one?
The IUPAC name of (2S)-2-(dibenzylamino)-1-phenylpentan-3-one (CID 11121869) is (2S)-2-(dibenzylamino)-1-phenylpentan-3-one.
What is the SMILES notation for (2S)-2-(dibenzylamino)-1-phenylpentan-3-one?
The canonical SMILES for (2S)-2-(dibenzylamino)-1-phenylpentan-3-one is CCC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of (2S)-2-(dibenzylamino)-1-phenylpentan-3-one?
The InChIKey is MFQDWPZTNILNOV-DEOSSOPVSA-N. The full InChI is InChI=1S/C25H27NO/c1-2-25(27)24(18-21-12-6-3-7-13-21)26(19-22-14-8-4-9-15-22)20-23-16-10-5-11-17-23/h3-17,24H,2,18-20H2,1H3/t24-/m0/s1.
What are the key properties of (2S)-2-(dibenzylamino)-1-phenylpentan-3-one?
(2S)-2-(dibenzylamino)-1-phenylpentan-3-one has a molecular weight of 357.50 g/mol, XLogP of 5.28, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(dibenzylamino)-1-phenylpentan-3-one is sourced from PubChem (CID 11121869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).