(2E,4E,6E)-4-(furan-2-carbonyl)-N,N,N',N'-tetramethyl-5-phenylocta-2,4,6-trienediamide

C23H24N2O4 — CID 50905902

IUPAC(2E,4E,6E)-4-(furan-2-carbonyl)-N,N,N',N'-tetramethyl-5-phenylocta-2,4,6-trienediamide
SMILESCN(C)C(=O)/C=C/C(C(=O)c1ccco1)=C(/C=C/C(=O)N(C)C)c1ccccc1
InChIInChI=1S/C23H24N2O4/c1-24(2)21(26)14-12-18(17-9-6-5-7-10-17)19(13-15-22(27)25(3)4)23(28)20-11-8-16-29-20/h5-16H,1-4H3/b14-12+,15-13+,19-18+
InChIKeySOASAPPFLKHGJQ-DMFABSADSA-N
MW392.46 g/mol
LogP3.20
Rot. Bonds7

About (2E,4E,6E)-4-(furan-2-carbonyl)-N,N,N',N'-tetramethyl-5-phenylocta-2,4,6-trienediamide

(2E,4E,6E)-4-(furan-2-carbonyl)-N,N,N',N'-tetramethyl-5-phenylocta-2,4,6-trienediamide (PubChem CID 50905902) has the molecular formula C23H24N2O4 and a molecular weight of 392.46 g/mol. Its IUPAC name is (2E,4E,6E)-4-(furan-2-carbonyl)-N,N,N',N'-tetramethyl-5-phenylocta-2,4,6-trienediamide.

Molecular Properties

Compound Name(2E,4E,6E)-4-(furan-2-carbonyl)-N,N,N',N'-tetramethyl-5-phenylocta-2,4,6-trienediamide
PubChem CID50905902
Molecular FormulaC23H24N2O4
Molecular Weight392.46 g/mol
Exact Mass392.17
IUPAC Name(2E,4E,6E)-4-(furan-2-carbonyl)-N,N,N',N'-tetramethyl-5-phenylocta-2,4,6-trienediamide
SMILESCN(C)C(=O)/C=C/C(C(=O)c1ccco1)=C(/C=C/C(=O)N(C)C)c1ccccc1
InChIInChI=1S/C23H24N2O4/c1-24(2)21(26)14-12-18(17-9-6-5-7-10-17)19(13-15-22(27)25(3)4)23(28)20-11-8-16-29-20/h5-16H,1-4H3/b14-12+,15-13+,19-18+
InChIKeySOASAPPFLKHGJQ-DMFABSADSA-N
XLogP3.20
TPSA70.83 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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,6E)-4-(furan-2-carbonyl)-N,N,N',N'-tetramethyl-5-phenylocta-2,4,6-trienediamide?
The IUPAC name of (2E,4E,6E)-4-(furan-2-carbonyl)-N,N,N',N'-tetramethyl-5-phenylocta-2,4,6-trienediamide (CID 50905902) is (2E,4E,6E)-4-(furan-2-carbonyl)-N,N,N',N'-tetramethyl-5-phenylocta-2,4,6-trienediamide.
What is the SMILES notation for (2E,4E,6E)-4-(furan-2-carbonyl)-N,N,N',N'-tetramethyl-5-phenylocta-2,4,6-trienediamide?
The canonical SMILES for (2E,4E,6E)-4-(furan-2-carbonyl)-N,N,N',N'-tetramethyl-5-phenylocta-2,4,6-trienediamide is CN(C)C(=O)/C=C/C(C(=O)c1ccco1)=C(/C=C/C(=O)N(C)C)c1ccccc1.
What is the InChIKey of (2E,4E,6E)-4-(furan-2-carbonyl)-N,N,N',N'-tetramethyl-5-phenylocta-2,4,6-trienediamide?
The InChIKey is SOASAPPFLKHGJQ-DMFABSADSA-N. The full InChI is InChI=1S/C23H24N2O4/c1-24(2)21(26)14-12-18(17-9-6-5-7-10-17)19(13-15-22(27)25(3)4)23(28)20-11-8-16-29-20/h5-16H,1-4H3/b14-12+,15-13+,19-18+.
What are the key properties of (2E,4E,6E)-4-(furan-2-carbonyl)-N,N,N',N'-tetramethyl-5-phenylocta-2,4,6-trienediamide?
(2E,4E,6E)-4-(furan-2-carbonyl)-N,N,N',N'-tetramethyl-5-phenylocta-2,4,6-trienediamide has a molecular weight of 392.46 g/mol, XLogP of 3.20, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E,6E)-4-(furan-2-carbonyl)-N,N,N',N'-tetramethyl-5-phenylocta-2,4,6-trienediamide is sourced from PubChem (CID 50905902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).