(2R)-2-(dibenzylamino)pentan-3-one

C19H23NO — CID 11219765

IUPAC(2R)-2-(dibenzylamino)pentan-3-one
SMILESCCC(=O)[C@@H](C)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C19H23NO/c1-3-19(21)16(2)20(14-17-10-6-4-7-11-17)15-18-12-8-5-9-13-18/h4-13,16H,3,14-15H2,1-2H3/t16-/m1/s1
InChIKeyUKVUEMGFUIBIOO-MRXNPFEDSA-N
MW281.40 g/mol
LogP4.06
Rot. Bonds7

About (2R)-2-(dibenzylamino)pentan-3-one

(2R)-2-(dibenzylamino)pentan-3-one (PubChem CID 11219765) has the molecular formula C19H23NO and a molecular weight of 281.40 g/mol. Its IUPAC name is (2R)-2-(dibenzylamino)pentan-3-one.

Molecular Properties

Compound Name(2R)-2-(dibenzylamino)pentan-3-one
PubChem CID11219765
Molecular FormulaC19H23NO
Molecular Weight281.40 g/mol
Exact Mass281.18
IUPAC Name(2R)-2-(dibenzylamino)pentan-3-one
SMILESCCC(=O)[C@@H](C)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C19H23NO/c1-3-19(21)16(2)20(14-17-10-6-4-7-11-17)15-18-12-8-5-9-13-18/h4-13,16H,3,14-15H2,1-2H3/t16-/m1/s1
InChIKeyUKVUEMGFUIBIOO-MRXNPFEDSA-N
XLogP4.06
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-(dibenzylamino)propanoic acid
CID 10754456
(4S)-4-(dibenzylamino)-5-methylhexan-3-one
CID 14934525
2-[benzyl(2-hydroxyethyl)amino]propanoic acid
CID 62115110
2-[acetyl(benzyl)amino]propanoic acid
CID 11053213
(2S)-2-[acetyl(benzyl)amino]propanoic acid
CID 39244624
(2S)-2-[benzyl(2-chloroethyl)amino]propanoic acid
CID 54043437
tert-butyl (5S)-5-(dibenzylamino)-4-oxohexanoate
CID 10927048
N-benzyl-N-propan-2-ylacetamide
CID 23534449
benzyl(butan-2-yl)carbamic acid
CID 18954164
2-[benzyl(prop-2-enyl)amino]propanoic acid
CID 119134454
(2R)-2-(dibenzylamino)butanoic acid
CID 141083038
N,N-dibenzyl-1-fluoropropan-2-amine
CID 70794652

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(dibenzylamino)pentan-3-one?
The IUPAC name of (2R)-2-(dibenzylamino)pentan-3-one (CID 11219765) is (2R)-2-(dibenzylamino)pentan-3-one.
What is the SMILES notation for (2R)-2-(dibenzylamino)pentan-3-one?
The canonical SMILES for (2R)-2-(dibenzylamino)pentan-3-one is CCC(=O)[C@@H](C)N(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of (2R)-2-(dibenzylamino)pentan-3-one?
The InChIKey is UKVUEMGFUIBIOO-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H23NO/c1-3-19(21)16(2)20(14-17-10-6-4-7-11-17)15-18-12-8-5-9-13-18/h4-13,16H,3,14-15H2,1-2H3/t16-/m1/s1.
What are the key properties of (2R)-2-(dibenzylamino)pentan-3-one?
(2R)-2-(dibenzylamino)pentan-3-one has a molecular weight of 281.40 g/mol, XLogP of 4.06, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(dibenzylamino)pentan-3-one is sourced from PubChem (CID 11219765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).