(2R)-1-(dibenzylamino)-2,6-dimethylheptan-3-one

C23H31NO — CID 11099804

IUPAC(2R)-1-(dibenzylamino)-2,6-dimethylheptan-3-one
SMILESCC(C)CCC(=O)[C@H](C)CN(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C23H31NO/c1-19(2)14-15-23(25)20(3)16-24(17-21-10-6-4-7-11-21)18-22-12-8-5-9-13-22/h4-13,19-20H,14-18H2,1-3H3/t20-/m1/s1
InChIKeyDKKRLPIIDOSWSY-HXUWFJFHSA-N
MW337.51 g/mol
LogP5.33
Rot. Bonds10

About (2R)-1-(dibenzylamino)-2,6-dimethylheptan-3-one

(2R)-1-(dibenzylamino)-2,6-dimethylheptan-3-one (PubChem CID 11099804) has the molecular formula C23H31NO and a molecular weight of 337.51 g/mol. Its IUPAC name is (2R)-1-(dibenzylamino)-2,6-dimethylheptan-3-one.

Molecular Properties

Compound Name(2R)-1-(dibenzylamino)-2,6-dimethylheptan-3-one
PubChem CID11099804
Molecular FormulaC23H31NO
Molecular Weight337.51 g/mol
Exact Mass337.24
IUPAC Name(2R)-1-(dibenzylamino)-2,6-dimethylheptan-3-one
SMILESCC(C)CCC(=O)[C@H](C)CN(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C23H31NO/c1-19(2)14-15-23(25)20(3)16-24(17-21-10-6-4-7-11-21)18-22-12-8-5-9-13-22/h4-13,19-20H,14-18H2,1-3H3/t20-/m1/s1
InChIKeyDKKRLPIIDOSWSY-HXUWFJFHSA-N
XLogP5.33
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.51
LogP ≤ 55.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzyl-4-methyl-N-propan-2-ylpentanamide
CID 86978961
1-(dibenzylamino)propane-2-sulfonic acid
CID 86077306
methyl 3-[benzyl-[(4-fluorophenyl)methyl]amino]-2-methylpropanoate
CID 60612566
3-[2-aminoethyl(benzyl)amino]-2-methylpropanamide
CID 55031850
(2S)-1-cyclohexyl-2-(dibenzylamino)-6-methylheptan-3-one
CID 10894772
N-(2-aminoethyl)-N-benzyl-4-methylpentanamide
CID 61014679
(2R)-2-methyl-N-[(2S)-6-methyl-3-oxo-1-phenylheptan-2-yl]-4-oxopentanamide
CID 165100579
3-[benzyl(ethyl)amino]-N-(3-methylbutyl)propanamide
CID 109023063
3-[benzyl(3-ethoxypropyl)amino]-2-methylpropanoic acid
CID 82327569
N,N-dibenzyl-N',N'-bis(2-methylpropyl)oxamide
CID 108523671
N-[3-(dibenzylamino)-1-oxo-1-phenylpropan-2-yl]acetamide
CID 90765591
2-methyl-3-[3-methylbutyl-[(4-methylphenyl)methyl]amino]propanoic acid
CID 82328907

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(dibenzylamino)-2,6-dimethylheptan-3-one?
The IUPAC name of (2R)-1-(dibenzylamino)-2,6-dimethylheptan-3-one (CID 11099804) is (2R)-1-(dibenzylamino)-2,6-dimethylheptan-3-one.
What is the SMILES notation for (2R)-1-(dibenzylamino)-2,6-dimethylheptan-3-one?
The canonical SMILES for (2R)-1-(dibenzylamino)-2,6-dimethylheptan-3-one is CC(C)CCC(=O)[C@H](C)CN(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of (2R)-1-(dibenzylamino)-2,6-dimethylheptan-3-one?
The InChIKey is DKKRLPIIDOSWSY-HXUWFJFHSA-N. The full InChI is InChI=1S/C23H31NO/c1-19(2)14-15-23(25)20(3)16-24(17-21-10-6-4-7-11-21)18-22-12-8-5-9-13-22/h4-13,19-20H,14-18H2,1-3H3/t20-/m1/s1.
What are the key properties of (2R)-1-(dibenzylamino)-2,6-dimethylheptan-3-one?
(2R)-1-(dibenzylamino)-2,6-dimethylheptan-3-one has a molecular weight of 337.51 g/mol, XLogP of 5.33, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(dibenzylamino)-2,6-dimethylheptan-3-one is sourced from PubChem (CID 11099804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).