(2E,4E)-6-(5-bromonaphthalen-2-yl)-N-(3-methylbutan-2-yl)hexa-2,4-dienamide

C21H24BrNO — CID 6438819

IUPAC(2E,4E)-6-(5-bromonaphthalen-2-yl)-N-(3-methylbutan-2-yl)hexa-2,4-dienamide
SMILESCC(C)C(C)NC(=O)/C=C/C=C/Cc1ccc2c(Br)cccc2c1
InChIInChI=1S/C21H24BrNO/c1-15(2)16(3)23-21(24)11-6-4-5-8-17-12-13-19-18(14-17)9-7-10-20(19)22/h4-7,9-16H,8H2,1-3H3,(H,23,24)/b5-4+,11-6+
InChIKeyFVMPXCCSVGCCRV-LJIKRCSCSA-N
MW386.33 g/mol
LogP5.42
Rot. Bonds6

About (2E,4E)-6-(5-bromonaphthalen-2-yl)-N-(3-methylbutan-2-yl)hexa-2,4-dienamide

(2E,4E)-6-(5-bromonaphthalen-2-yl)-N-(3-methylbutan-2-yl)hexa-2,4-dienamide (PubChem CID 6438819) has the molecular formula C21H24BrNO and a molecular weight of 386.33 g/mol. Its IUPAC name is (2E,4E)-6-(5-bromonaphthalen-2-yl)-N-(3-methylbutan-2-yl)hexa-2,4-dienamide.

Molecular Properties

Compound Name(2E,4E)-6-(5-bromonaphthalen-2-yl)-N-(3-methylbutan-2-yl)hexa-2,4-dienamide
PubChem CID6438819
Molecular FormulaC21H24BrNO
Molecular Weight386.33 g/mol
Exact Mass385.10
IUPAC Name(2E,4E)-6-(5-bromonaphthalen-2-yl)-N-(3-methylbutan-2-yl)hexa-2,4-dienamide
SMILESCC(C)C(C)NC(=O)/C=C/C=C/Cc1ccc2c(Br)cccc2c1
InChIInChI=1S/C21H24BrNO/c1-15(2)16(3)23-21(24)11-6-4-5-8-17-12-13-19-18(14-17)9-7-10-20(19)22/h4-7,9-16H,8H2,1-3H3,(H,23,24)/b5-4+,11-6+
InChIKeyFVMPXCCSVGCCRV-LJIKRCSCSA-N
XLogP5.42
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.33
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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)-6-(5-bromonaphthalen-2-yl)-N-(3-methylbutan-2-yl)hexa-2,4-dienamide?
The IUPAC name of (2E,4E)-6-(5-bromonaphthalen-2-yl)-N-(3-methylbutan-2-yl)hexa-2,4-dienamide (CID 6438819) is (2E,4E)-6-(5-bromonaphthalen-2-yl)-N-(3-methylbutan-2-yl)hexa-2,4-dienamide.
What is the SMILES notation for (2E,4E)-6-(5-bromonaphthalen-2-yl)-N-(3-methylbutan-2-yl)hexa-2,4-dienamide?
The canonical SMILES for (2E,4E)-6-(5-bromonaphthalen-2-yl)-N-(3-methylbutan-2-yl)hexa-2,4-dienamide is CC(C)C(C)NC(=O)/C=C/C=C/Cc1ccc2c(Br)cccc2c1.
What is the InChIKey of (2E,4E)-6-(5-bromonaphthalen-2-yl)-N-(3-methylbutan-2-yl)hexa-2,4-dienamide?
The InChIKey is FVMPXCCSVGCCRV-LJIKRCSCSA-N. The full InChI is InChI=1S/C21H24BrNO/c1-15(2)16(3)23-21(24)11-6-4-5-8-17-12-13-19-18(14-17)9-7-10-20(19)22/h4-7,9-16H,8H2,1-3H3,(H,23,24)/b5-4+,11-6+.
What are the key properties of (2E,4E)-6-(5-bromonaphthalen-2-yl)-N-(3-methylbutan-2-yl)hexa-2,4-dienamide?
(2E,4E)-6-(5-bromonaphthalen-2-yl)-N-(3-methylbutan-2-yl)hexa-2,4-dienamide has a molecular weight of 386.33 g/mol, XLogP of 5.42, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-6-(5-bromonaphthalen-2-yl)-N-(3-methylbutan-2-yl)hexa-2,4-dienamide is sourced from PubChem (CID 6438819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).