(2E)-N-(2-aminophenyl)-2-ethyl-5-methylhexa-2,4-dienamide;ethane

C19H32N2O — CID 144503553

IUPAC(2E)-N-(2-aminophenyl)-2-ethyl-5-methylhexa-2,4-dienamide;ethane
SMILESCC.CC.CC/C(=C\C=C(C)C)C(=O)Nc1ccccc1N
InChIInChI=1S/C15H20N2O.2C2H6/c1-4-12(10-9-11(2)3)15(18)17-14-8-6-5-7-13(14)16;2*1-2/h5-10H,4,16H2,1-3H3,(H,17,18);2*1-2H3/b12-10+;;
InChIKeyXHKNGFQPBPXOPP-PFNYCKIMSA-N
MW304.48 g/mol
LogP5.56
Rot. Bonds4

About (2E)-N-(2-aminophenyl)-2-ethyl-5-methylhexa-2,4-dienamide;ethane

(2E)-N-(2-aminophenyl)-2-ethyl-5-methylhexa-2,4-dienamide;ethane (PubChem CID 144503553) has the molecular formula C19H32N2O and a molecular weight of 304.48 g/mol. Its IUPAC name is (2E)-N-(2-aminophenyl)-2-ethyl-5-methylhexa-2,4-dienamide;ethane.

Molecular Properties

Compound Name(2E)-N-(2-aminophenyl)-2-ethyl-5-methylhexa-2,4-dienamide;ethane
PubChem CID144503553
Molecular FormulaC19H32N2O
Molecular Weight304.48 g/mol
Exact Mass304.25
IUPAC Name(2E)-N-(2-aminophenyl)-2-ethyl-5-methylhexa-2,4-dienamide;ethane
SMILESCC.CC.CC/C(=C\C=C(C)C)C(=O)Nc1ccccc1N
InChIInChI=1S/C15H20N2O.2C2H6/c1-4-12(10-9-11(2)3)15(18)17-14-8-6-5-7-13(14)16;2*1-2/h5-10H,4,16H2,1-3H3,(H,17,18);2*1-2H3/b12-10+;;
InChIKeyXHKNGFQPBPXOPP-PFNYCKIMSA-N
XLogP5.56
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.48
LogP ≤ 55.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', '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)-N-(2-aminophenyl)-2-ethyl-5-methylhexa-2,4-dienamide;ethane?
The IUPAC name of (2E)-N-(2-aminophenyl)-2-ethyl-5-methylhexa-2,4-dienamide;ethane (CID 144503553) is (2E)-N-(2-aminophenyl)-2-ethyl-5-methylhexa-2,4-dienamide;ethane.
What is the SMILES notation for (2E)-N-(2-aminophenyl)-2-ethyl-5-methylhexa-2,4-dienamide;ethane?
The canonical SMILES for (2E)-N-(2-aminophenyl)-2-ethyl-5-methylhexa-2,4-dienamide;ethane is CC.CC.CC/C(=C\C=C(C)C)C(=O)Nc1ccccc1N.
What is the InChIKey of (2E)-N-(2-aminophenyl)-2-ethyl-5-methylhexa-2,4-dienamide;ethane?
The InChIKey is XHKNGFQPBPXOPP-PFNYCKIMSA-N. The full InChI is InChI=1S/C15H20N2O.2C2H6/c1-4-12(10-9-11(2)3)15(18)17-14-8-6-5-7-13(14)16;2*1-2/h5-10H,4,16H2,1-3H3,(H,17,18);2*1-2H3/b12-10+;;.
What are the key properties of (2E)-N-(2-aminophenyl)-2-ethyl-5-methylhexa-2,4-dienamide;ethane?
(2E)-N-(2-aminophenyl)-2-ethyl-5-methylhexa-2,4-dienamide;ethane has a molecular weight of 304.48 g/mol, XLogP of 5.56, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-N-(2-aminophenyl)-2-ethyl-5-methylhexa-2,4-dienamide;ethane is sourced from PubChem (CID 144503553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).