(E)-N,N'-bis(2-ethyl-6-methylphenyl)but-2-enediamide

C22H26N2O2 — CID 17407260

IUPAC(E)-N,N'-bis(2-ethyl-6-methylphenyl)but-2-enediamide
SMILESCCc1cccc(C)c1NC(=O)/C=C/C(=O)Nc1c(C)cccc1CC
InChIInChI=1S/C22H26N2O2/c1-5-17-11-7-9-15(3)21(17)23-19(25)13-14-20(26)24-22-16(4)10-8-12-18(22)6-2/h7-14H,5-6H2,1-4H3,(H,23,25)(H,24,26)/b14-13+
InChIKeyKUTSAIGYWIBRNA-BUHFOSPRSA-N
MW350.46 g/mol
LogP4.56
Rot. Bonds6

About (E)-N,N'-bis(2-ethyl-6-methylphenyl)but-2-enediamide

(E)-N,N'-bis(2-ethyl-6-methylphenyl)but-2-enediamide (PubChem CID 17407260) has the molecular formula C22H26N2O2 and a molecular weight of 350.46 g/mol. Its IUPAC name is (E)-N,N'-bis(2-ethyl-6-methylphenyl)but-2-enediamide.

Molecular Properties

Compound Name(E)-N,N'-bis(2-ethyl-6-methylphenyl)but-2-enediamide
PubChem CID17407260
Molecular FormulaC22H26N2O2
Molecular Weight350.46 g/mol
Exact Mass350.20
IUPAC Name(E)-N,N'-bis(2-ethyl-6-methylphenyl)but-2-enediamide
SMILESCCc1cccc(C)c1NC(=O)/C=C/C(=O)Nc1c(C)cccc1CC
InChIInChI=1S/C22H26N2O2/c1-5-17-11-7-9-15(3)21(17)23-19(25)13-14-20(26)24-22-16(4)10-8-12-18(22)6-2/h7-14H,5-6H2,1-4H3,(H,23,25)(H,24,26)/b14-13+
InChIKeyKUTSAIGYWIBRNA-BUHFOSPRSA-N
XLogP4.56
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-ethyl-6-methylphenyl)-3-(4-methylphenyl)prop-2-enamide
CID 3643097
N,N'-bis(2-ethyl-6-methylphenyl)oxamide
CID 3725747
3-(2,6-dimethoxyphenyl)-N-(2-ethyl-6-methylphenyl)prop-2-enamide
CID 963630
(E)-N-(2-ethyl-6-methylphenyl)-3-(4-methylsulfanylphenyl)prop-2-enamide
CID 8015224
3-(3,4-dichlorophenyl)-N-(2-ethyl-6-methylphenyl)prop-2-enamide
CID 3605032
(E)-3-(3-amino-4-fluorophenyl)-N-(2-ethyl-6-methylphenyl)prop-2-enamide
CID 39419234
(E)-N-(2-ethyl-6-methylphenyl)-3-(4-prop-2-enoxyphenyl)prop-2-enamide
CID 8761389
(E)-3-(3-chloro-4-fluorophenyl)-N-(2-ethyl-6-methylphenyl)prop-2-enamide
CID 8761699
(E)-N-(2-ethyl-6-methylphenyl)-3-(3-nitrophenyl)prop-2-enamide
CID 874179
(E)-N-(2-ethyl-6-methylphenyl)-3-quinolin-8-ylprop-2-enamide
CID 51335179
(E)-3-(3-chloro-1-benzothiophen-2-yl)-N-(2-ethyl-6-methylphenyl)prop-2-enamide
CID 7668024
N-(2-ethyl-6-methylphenyl)tetradecanamide
CID 54789893

Frequently Asked Questions

What is the IUPAC name of (E)-N,N'-bis(2-ethyl-6-methylphenyl)but-2-enediamide?
The IUPAC name of (E)-N,N'-bis(2-ethyl-6-methylphenyl)but-2-enediamide (CID 17407260) is (E)-N,N'-bis(2-ethyl-6-methylphenyl)but-2-enediamide.
What is the SMILES notation for (E)-N,N'-bis(2-ethyl-6-methylphenyl)but-2-enediamide?
The canonical SMILES for (E)-N,N'-bis(2-ethyl-6-methylphenyl)but-2-enediamide is CCc1cccc(C)c1NC(=O)/C=C/C(=O)Nc1c(C)cccc1CC.
What is the InChIKey of (E)-N,N'-bis(2-ethyl-6-methylphenyl)but-2-enediamide?
The InChIKey is KUTSAIGYWIBRNA-BUHFOSPRSA-N. The full InChI is InChI=1S/C22H26N2O2/c1-5-17-11-7-9-15(3)21(17)23-19(25)13-14-20(26)24-22-16(4)10-8-12-18(22)6-2/h7-14H,5-6H2,1-4H3,(H,23,25)(H,24,26)/b14-13+.
What are the key properties of (E)-N,N'-bis(2-ethyl-6-methylphenyl)but-2-enediamide?
(E)-N,N'-bis(2-ethyl-6-methylphenyl)but-2-enediamide has a molecular weight of 350.46 g/mol, XLogP of 4.56, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N,N'-bis(2-ethyl-6-methylphenyl)but-2-enediamide is sourced from PubChem (CID 17407260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).