(4S)-4-(dibenzylamino)-5-methylhexan-3-one

C21H27NO — CID 14934525

IUPAC(4S)-4-(dibenzylamino)-5-methylhexan-3-one
SMILESCCC(=O)[C@H](C(C)C)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C21H27NO/c1-4-20(23)21(17(2)3)22(15-18-11-7-5-8-12-18)16-19-13-9-6-10-14-19/h5-14,17,21H,4,15-16H2,1-3H3/t21-/m0/s1
InChIKeyIQUUNLSLEBMUKG-NRFANRHFSA-N
MW309.45 g/mol
LogP4.69
Rot. Bonds8

About (4S)-4-(dibenzylamino)-5-methylhexan-3-one

(4S)-4-(dibenzylamino)-5-methylhexan-3-one (PubChem CID 14934525) has the molecular formula C21H27NO and a molecular weight of 309.45 g/mol. Its IUPAC name is (4S)-4-(dibenzylamino)-5-methylhexan-3-one.

Molecular Properties

Compound Name(4S)-4-(dibenzylamino)-5-methylhexan-3-one
PubChem CID14934525
Molecular FormulaC21H27NO
Molecular Weight309.45 g/mol
Exact Mass309.21
IUPAC Name(4S)-4-(dibenzylamino)-5-methylhexan-3-one
SMILESCCC(=O)[C@H](C(C)C)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C21H27NO/c1-4-20(23)21(17(2)3)22(15-18-11-7-5-8-12-18)16-19-13-9-6-10-14-19/h5-14,17,21H,4,15-16H2,1-3H3/t21-/m0/s1
InChIKeyIQUUNLSLEBMUKG-NRFANRHFSA-N
XLogP4.69
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.45
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-(dibenzylamino)pentan-3-one
CID 11219765
(3R)-3-(dibenzylamino)-1-dimethoxyphosphoryl-4-methylpentan-2-one
CID 118184134
benzyl (2S)-2-(dibenzylamino)-3-methylbutanoate
CID 11280665
2-[benzyl(ethyl)amino]-3-methylbutanamide
CID 82041322
(2R)-2-(dibenzylamino)propanoic acid
CID 10754456
3-(dibenzylamino)-4-methylhexane-2,5-dione
CID 135163861
(4S)-4-(dibenzylamino)-5-methyl-1-trimethylsilylhex-1-yn-3-one
CID 102384335
(2R,3S)-3-(dibenzylamino)-2-hydroxybutanoic acid
CID 101125949
(2S)-3-(dibenzylamino)-2-hydroxybutanoic acid
CID 118253863
(2S)-2-[benzyl(ethyl)amino]propan-1-ol
CID 14327251
ethyl (E,5R)-5-(dibenzylamino)-2,6-dimethyl-4-oxohept-2-enoate
CID 118184135
2-[benzyl(propan-2-yl)amino]-3-methylbutanoic acid
CID 20993417

Frequently Asked Questions

What is the IUPAC name of (4S)-4-(dibenzylamino)-5-methylhexan-3-one?
The IUPAC name of (4S)-4-(dibenzylamino)-5-methylhexan-3-one (CID 14934525) is (4S)-4-(dibenzylamino)-5-methylhexan-3-one.
What is the SMILES notation for (4S)-4-(dibenzylamino)-5-methylhexan-3-one?
The canonical SMILES for (4S)-4-(dibenzylamino)-5-methylhexan-3-one is CCC(=O)[C@H](C(C)C)N(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of (4S)-4-(dibenzylamino)-5-methylhexan-3-one?
The InChIKey is IQUUNLSLEBMUKG-NRFANRHFSA-N. The full InChI is InChI=1S/C21H27NO/c1-4-20(23)21(17(2)3)22(15-18-11-7-5-8-12-18)16-19-13-9-6-10-14-19/h5-14,17,21H,4,15-16H2,1-3H3/t21-/m0/s1.
What are the key properties of (4S)-4-(dibenzylamino)-5-methylhexan-3-one?
(4S)-4-(dibenzylamino)-5-methylhexan-3-one has a molecular weight of 309.45 g/mol, XLogP of 4.69, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(dibenzylamino)-5-methylhexan-3-one is sourced from PubChem (CID 14934525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).