(3E)-N-(2-cyclobutyloxyethyl)-2-ethyl-4-methylidene-3-[2-[methyl(2-methylbutyl)amino]ethylidene]cyclohexa-1,5-diene-1-carboxamide

C24H38N2O2 — CID 144747389

IUPAC(3E)-N-(2-cyclobutyloxyethyl)-2-ethyl-4-methylidene-3-[2-[methyl(2-methylbutyl)amino]ethylidene]cyclohexa-1,5-diene-1-carboxamide
SMILESC=c1ccc(C(=O)NCCOC2CCC2)c(CC)/c1=C/CN(C)CC(C)CC
InChIInChI=1S/C24H38N2O2/c1-6-18(3)17-26(5)15-13-22-19(4)11-12-23(21(22)7-2)24(27)25-14-16-28-20-9-8-10-20/h11-13,18,20H,4,6-10,14-17H2,1-3,5H3,(H,25,27)/b22-13+
InChIKeyWURCYWKGOBJNIV-LPYMAVHISA-N
MW386.58 g/mol
LogP2.72
Rot. Bonds11

About (3E)-N-(2-cyclobutyloxyethyl)-2-ethyl-4-methylidene-3-[2-[methyl(2-methylbutyl)amino]ethylidene]cyclohexa-1,5-diene-1-carboxamide

(3E)-N-(2-cyclobutyloxyethyl)-2-ethyl-4-methylidene-3-[2-[methyl(2-methylbutyl)amino]ethylidene]cyclohexa-1,5-diene-1-carboxamide (PubChem CID 144747389) has the molecular formula C24H38N2O2 and a molecular weight of 386.58 g/mol. Its IUPAC name is (3E)-N-(2-cyclobutyloxyethyl)-2-ethyl-4-methylidene-3-[2-[methyl(2-methylbutyl)amino]ethylidene]cyclohexa-1,5-diene-1-carboxamide.

Molecular Properties

Compound Name(3E)-N-(2-cyclobutyloxyethyl)-2-ethyl-4-methylidene-3-[2-[methyl(2-methylbutyl)amino]ethylidene]cyclohexa-1,5-diene-1-carboxamide
PubChem CID144747389
Molecular FormulaC24H38N2O2
Molecular Weight386.58 g/mol
Exact Mass386.29
IUPAC Name(3E)-N-(2-cyclobutyloxyethyl)-2-ethyl-4-methylidene-3-[2-[methyl(2-methylbutyl)amino]ethylidene]cyclohexa-1,5-diene-1-carboxamide
SMILESC=c1ccc(C(=O)NCCOC2CCC2)c(CC)/c1=C/CN(C)CC(C)CC
InChIInChI=1S/C24H38N2O2/c1-6-18(3)17-26(5)15-13-22-19(4)11-12-23(21(22)7-2)24(27)25-14-16-28-20-9-8-10-20/h11-13,18,20H,4,6-10,14-17H2,1-3,5H3,(H,25,27)/b22-13+
InChIKeyWURCYWKGOBJNIV-LPYMAVHISA-N
XLogP2.72
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.58
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3E)-2-ethyl-4-methylidene-3-[[methyl(2-methylbutyl)amino]methylidene]-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexa-1,5-diene-1-carboxamide
CID 144747390
(3E)-N-(2-cyclobutyloxy-6-fluoroheptyl)-2-ethyl-4-methylidene-3-[[methyl(2-methylbutyl)amino]methylidene]cyclohexa-1,5-diene-1-carboxamide
CID 144747578
(2E,4E)-3-methyl-N-(oxan-2-ylmethyl)nona-2,4-dienamide
CID 88991033
N-(2-cyclobutyloxyethyl)-7-(3-cyclohexylpropyl)-1-methyl-6,7-dihydronaphthalene-2-carboxamide
CID 123324024
N-(2-cyclobutyloxyethyl)-6-(3-cyclohexylpropyl)-4,7-dimethyl-7,8-dihydro-6H-benzo[7]annulene-3-carboxamide
CID 123404690
3-methyl-N-(oxan-2-ylmethyl)nona-2,4-dienamide
CID 123678431
(3E)-3-[(cyclobutylmethylamino)methylidene]-N-(2-methoxyethyl)-2-methylcyclohexa-1,5-diene-1-carboxamide
CID 134188851
(3Z)-3-[[cyclobutylmethyl(methyl)amino]methylidene]-N-(2-methoxyethyl)-6-methyl-4-methylidenecyclohexa-1,5-diene-1-carboxamide
CID 134188878
(3E)-2-ethyl-4-methylidene-3-[[methyl(2-methylbutyl)amino]methylidene]-N-(oxan-2-ylmethyl)cyclohexa-1,5-diene-1-carboxamide
CID 144747326
(3E)-N-[2-(cyclopropylmethoxy)propyl]-2-methyl-4-methylidene-3-[[methyl(piperidin-4-ylmethyl)amino]methylidene]cyclohexa-1,5-diene-1-carboxamide;ethane
CID 144747344
(3E)-N-(2-methoxyethyl)-2-methyl-4-methylidene-3-[[methyl(2-methylbutyl)amino]methylidene]cyclohexa-1,5-diene-1-carboxamide
CID 144747346
(3E)-3-[[2-ethylpentyl(methyl)amino]methylidene]-N-(2-methoxyethyl)-4-methylidene-2-propylcyclohexa-1,5-diene-1-carboxamide
CID 144747349

Frequently Asked Questions

What is the IUPAC name of (3E)-N-(2-cyclobutyloxyethyl)-2-ethyl-4-methylidene-3-[2-[methyl(2-methylbutyl)amino]ethylidene]cyclohexa-1,5-diene-1-carboxamide?
The IUPAC name of (3E)-N-(2-cyclobutyloxyethyl)-2-ethyl-4-methylidene-3-[2-[methyl(2-methylbutyl)amino]ethylidene]cyclohexa-1,5-diene-1-carboxamide (CID 144747389) is (3E)-N-(2-cyclobutyloxyethyl)-2-ethyl-4-methylidene-3-[2-[methyl(2-methylbutyl)amino]ethylidene]cyclohexa-1,5-diene-1-carboxamide.
What is the SMILES notation for (3E)-N-(2-cyclobutyloxyethyl)-2-ethyl-4-methylidene-3-[2-[methyl(2-methylbutyl)amino]ethylidene]cyclohexa-1,5-diene-1-carboxamide?
The canonical SMILES for (3E)-N-(2-cyclobutyloxyethyl)-2-ethyl-4-methylidene-3-[2-[methyl(2-methylbutyl)amino]ethylidene]cyclohexa-1,5-diene-1-carboxamide is C=c1ccc(C(=O)NCCOC2CCC2)c(CC)/c1=C/CN(C)CC(C)CC.
What is the InChIKey of (3E)-N-(2-cyclobutyloxyethyl)-2-ethyl-4-methylidene-3-[2-[methyl(2-methylbutyl)amino]ethylidene]cyclohexa-1,5-diene-1-carboxamide?
The InChIKey is WURCYWKGOBJNIV-LPYMAVHISA-N. The full InChI is InChI=1S/C24H38N2O2/c1-6-18(3)17-26(5)15-13-22-19(4)11-12-23(21(22)7-2)24(27)25-14-16-28-20-9-8-10-20/h11-13,18,20H,4,6-10,14-17H2,1-3,5H3,(H,25,27)/b22-13+.
What are the key properties of (3E)-N-(2-cyclobutyloxyethyl)-2-ethyl-4-methylidene-3-[2-[methyl(2-methylbutyl)amino]ethylidene]cyclohexa-1,5-diene-1-carboxamide?
(3E)-N-(2-cyclobutyloxyethyl)-2-ethyl-4-methylidene-3-[2-[methyl(2-methylbutyl)amino]ethylidene]cyclohexa-1,5-diene-1-carboxamide has a molecular weight of 386.58 g/mol, XLogP of 2.72, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-N-(2-cyclobutyloxyethyl)-2-ethyl-4-methylidene-3-[2-[methyl(2-methylbutyl)amino]ethylidene]cyclohexa-1,5-diene-1-carboxamide is sourced from PubChem (CID 144747389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).