(E,3R)-3-(dibenzylamino)dec-6-ene-2,8-dione

C24H29NO2 — CID 164988581

IUPAC(E,3R)-3-(dibenzylamino)dec-6-ene-2,8-dione
SMILESCCC(=O)/C=C/CC[C@H](C(C)=O)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C24H29NO2/c1-3-23(27)16-10-11-17-24(20(2)26)25(18-21-12-6-4-7-13-21)19-22-14-8-5-9-15-22/h4-10,12-16,24H,3,11,17-19H2,1-2H3/b16-10+/t24-/m1/s1
InChIKeyXUMKARJUNUOQKR-UEVZPOJISA-N
MW363.50 g/mol
LogP4.96
Rot. Bonds11

About (E,3R)-3-(dibenzylamino)dec-6-ene-2,8-dione

(E,3R)-3-(dibenzylamino)dec-6-ene-2,8-dione (PubChem CID 164988581) has the molecular formula C24H29NO2 and a molecular weight of 363.50 g/mol. Its IUPAC name is (E,3R)-3-(dibenzylamino)dec-6-ene-2,8-dione.

Molecular Properties

Compound Name(E,3R)-3-(dibenzylamino)dec-6-ene-2,8-dione
PubChem CID164988581
Molecular FormulaC24H29NO2
Molecular Weight363.50 g/mol
Exact Mass363.22
IUPAC Name(E,3R)-3-(dibenzylamino)dec-6-ene-2,8-dione
SMILESCCC(=O)/C=C/CC[C@H](C(C)=O)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C24H29NO2/c1-3-23(27)16-10-11-17-24(20(2)26)25(18-21-12-6-4-7-13-21)19-22-14-8-5-9-15-22/h4-10,12-16,24H,3,11,17-19H2,1-2H3/b16-10+/t24-/m1/s1
InChIKeyXUMKARJUNUOQKR-UEVZPOJISA-N
XLogP4.96
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.50
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(3S)-3-(dibenzylamino)-4-phenylbutan-2-one
CID 10925962
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CID 122202331
benzyl (2S)-2-(dibenzylamino)-5-oxopentanoate
CID 10993087
(2R)-2-(dibenzylamino)propanoic acid
CID 10754456
(2R)-2-(dibenzylamino)pentan-3-one
CID 11219765
3-(dibenzylamino)-4-methylhexane-2,5-dione
CID 135163861
(2R)-2-aminopentanedioic acid;benzyl (4R)-4-(dibenzylamino)-5-oxohexanoate
CID 164987859
(E)-1-phenyloct-4-en-3-one
CID 12588926
(4S)-4-(dibenzylamino)-5-methylhexan-3-one
CID 14934525
ethyl 2-(dibenzylamino)-5,5-dimethyl-4-oxohexanoate
CID 102383366
ethyl (2S)-2,3-bis(dibenzylamino)propanoate
CID 146168369

Frequently Asked Questions

What is the IUPAC name of (E,3R)-3-(dibenzylamino)dec-6-ene-2,8-dione?
The IUPAC name of (E,3R)-3-(dibenzylamino)dec-6-ene-2,8-dione (CID 164988581) is (E,3R)-3-(dibenzylamino)dec-6-ene-2,8-dione.
What is the SMILES notation for (E,3R)-3-(dibenzylamino)dec-6-ene-2,8-dione?
The canonical SMILES for (E,3R)-3-(dibenzylamino)dec-6-ene-2,8-dione is CCC(=O)/C=C/CC[C@H](C(C)=O)N(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of (E,3R)-3-(dibenzylamino)dec-6-ene-2,8-dione?
The InChIKey is XUMKARJUNUOQKR-UEVZPOJISA-N. The full InChI is InChI=1S/C24H29NO2/c1-3-23(27)16-10-11-17-24(20(2)26)25(18-21-12-6-4-7-13-21)19-22-14-8-5-9-15-22/h4-10,12-16,24H,3,11,17-19H2,1-2H3/b16-10+/t24-/m1/s1.
What are the key properties of (E,3R)-3-(dibenzylamino)dec-6-ene-2,8-dione?
(E,3R)-3-(dibenzylamino)dec-6-ene-2,8-dione has a molecular weight of 363.50 g/mol, XLogP of 4.96, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E,3R)-3-(dibenzylamino)dec-6-ene-2,8-dione is sourced from PubChem (CID 164988581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).