(2E,4E,8E)-5,9-dimethyl-10-oxo-N,N-di(propan-2-yl)deca-2,4,8-trienamide

C18H29NO2 — CID 44561548

IUPAC(2E,4E,8E)-5,9-dimethyl-10-oxo-N,N-di(propan-2-yl)deca-2,4,8-trienamide
SMILESC/C(C=O)=C\CC/C(C)=C/C=C/C(=O)N(C(C)C)C(C)C
InChIInChI=1S/C18H29NO2/c1-14(2)19(15(3)4)18(21)12-8-10-16(5)9-7-11-17(6)13-20/h8,10-15H,7,9H2,1-6H3/b12-8+,16-10+,17-11+
InChIKeyLAXVRCZIWYRAKL-GDIAMCNSSA-N
MW291.44 g/mol
LogP4.06
Rot. Bonds8

About (2E,4E,8E)-5,9-dimethyl-10-oxo-N,N-di(propan-2-yl)deca-2,4,8-trienamide

(2E,4E,8E)-5,9-dimethyl-10-oxo-N,N-di(propan-2-yl)deca-2,4,8-trienamide (PubChem CID 44561548) has the molecular formula C18H29NO2 and a molecular weight of 291.44 g/mol. Its IUPAC name is (2E,4E,8E)-5,9-dimethyl-10-oxo-N,N-di(propan-2-yl)deca-2,4,8-trienamide.

Molecular Properties

Compound Name(2E,4E,8E)-5,9-dimethyl-10-oxo-N,N-di(propan-2-yl)deca-2,4,8-trienamide
PubChem CID44561548
Molecular FormulaC18H29NO2
Molecular Weight291.44 g/mol
Exact Mass291.22
IUPAC Name(2E,4E,8E)-5,9-dimethyl-10-oxo-N,N-di(propan-2-yl)deca-2,4,8-trienamide
SMILESC/C(C=O)=C\CC/C(C)=C/C=C/C(=O)N(C(C)C)C(C)C
InChIInChI=1S/C18H29NO2/c1-14(2)19(15(3)4)18(21)12-8-10-16(5)9-7-11-17(6)13-20/h8,10-15H,7,9H2,1-6H3/b12-8+,16-10+,17-11+
InChIKeyLAXVRCZIWYRAKL-GDIAMCNSSA-N
XLogP4.06
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2E,4E,8E)-5,9-dimethyl-10-oxo-N,N-di(propan-2-yl)deca-2,4,8-trienamide?
The IUPAC name of (2E,4E,8E)-5,9-dimethyl-10-oxo-N,N-di(propan-2-yl)deca-2,4,8-trienamide (CID 44561548) is (2E,4E,8E)-5,9-dimethyl-10-oxo-N,N-di(propan-2-yl)deca-2,4,8-trienamide.
What is the SMILES notation for (2E,4E,8E)-5,9-dimethyl-10-oxo-N,N-di(propan-2-yl)deca-2,4,8-trienamide?
The canonical SMILES for (2E,4E,8E)-5,9-dimethyl-10-oxo-N,N-di(propan-2-yl)deca-2,4,8-trienamide is C/C(C=O)=C\CC/C(C)=C/C=C/C(=O)N(C(C)C)C(C)C.
What is the InChIKey of (2E,4E,8E)-5,9-dimethyl-10-oxo-N,N-di(propan-2-yl)deca-2,4,8-trienamide?
The InChIKey is LAXVRCZIWYRAKL-GDIAMCNSSA-N. The full InChI is InChI=1S/C18H29NO2/c1-14(2)19(15(3)4)18(21)12-8-10-16(5)9-7-11-17(6)13-20/h8,10-15H,7,9H2,1-6H3/b12-8+,16-10+,17-11+.
What are the key properties of (2E,4E,8E)-5,9-dimethyl-10-oxo-N,N-di(propan-2-yl)deca-2,4,8-trienamide?
(2E,4E,8E)-5,9-dimethyl-10-oxo-N,N-di(propan-2-yl)deca-2,4,8-trienamide has a molecular weight of 291.44 g/mol, XLogP of 4.06, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E,8E)-5,9-dimethyl-10-oxo-N,N-di(propan-2-yl)deca-2,4,8-trienamide is sourced from PubChem (CID 44561548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).