(3E)-2-methyl-4-methylidene-3-[[propan-2-yl(2-propylpentyl)amino]methylidene]-N-(2-propoxyethyl)cyclohexa-1,5-diene-1-carboxamide

C26H44N2O2 — CID 144747802

IUPAC(3E)-2-methyl-4-methylidene-3-[[propan-2-yl(2-propylpentyl)amino]methylidene]-N-(2-propoxyethyl)cyclohexa-1,5-diene-1-carboxamide
SMILESC=c1ccc(C(=O)NCCOCCC)c(C)/c1=C/N(CC(CCC)CCC)C(C)C
InChIInChI=1S/C26H44N2O2/c1-8-11-23(12-9-2)18-28(20(4)5)19-25-21(6)13-14-24(22(25)7)26(29)27-15-17-30-16-10-3/h13-14,19-20,23H,6,8-12,15-18H2,1-5,7H3,(H,27,29)/b25-19+
InChIKeyGQTDSHNAOATXGH-NCELDCMTSA-N
MW416.65 g/mol
LogP4.23
Rot. Bonds14

About (3E)-2-methyl-4-methylidene-3-[[propan-2-yl(2-propylpentyl)amino]methylidene]-N-(2-propoxyethyl)cyclohexa-1,5-diene-1-carboxamide

(3E)-2-methyl-4-methylidene-3-[[propan-2-yl(2-propylpentyl)amino]methylidene]-N-(2-propoxyethyl)cyclohexa-1,5-diene-1-carboxamide (PubChem CID 144747802) has the molecular formula C26H44N2O2 and a molecular weight of 416.65 g/mol. Its IUPAC name is (3E)-2-methyl-4-methylidene-3-[[propan-2-yl(2-propylpentyl)amino]methylidene]-N-(2-propoxyethyl)cyclohexa-1,5-diene-1-carboxamide.

Molecular Properties

Compound Name(3E)-2-methyl-4-methylidene-3-[[propan-2-yl(2-propylpentyl)amino]methylidene]-N-(2-propoxyethyl)cyclohexa-1,5-diene-1-carboxamide
PubChem CID144747802
Molecular FormulaC26H44N2O2
Molecular Weight416.65 g/mol
Exact Mass416.34
IUPAC Name(3E)-2-methyl-4-methylidene-3-[[propan-2-yl(2-propylpentyl)amino]methylidene]-N-(2-propoxyethyl)cyclohexa-1,5-diene-1-carboxamide
SMILESC=c1ccc(C(=O)NCCOCCC)c(C)/c1=C/N(CC(CCC)CCC)C(C)C
InChIInChI=1S/C26H44N2O2/c1-8-11-23(12-9-2)18-28(20(4)5)19-25-21(6)13-14-24(22(25)7)26(29)27-15-17-30-16-10-3/h13-14,19-20,23H,6,8-12,15-18H2,1-5,7H3,(H,27,29)/b25-19+
InChIKeyGQTDSHNAOATXGH-NCELDCMTSA-N
XLogP4.23
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.65
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (3E)-2-methyl-4-methylidene-3-[[propan-2-yl(2-propylpentyl)amino]methylidene]-N-(2-propoxyethyl)cyclohexa-1,5-diene-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(cyclooct-4-en-1-ylmethyl)-3,9-dimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-3,4-dihydro-2-benzazepine-8-carboxamide
CID 123470707
2-(cyclohex-3-en-1-ylmethyl)-N-[2-(1,1-difluoropropoxy)ethyl]-6-methylisoquinoline-7-carboxamide
CID 123863199
(3E)-2-ethyl-4-methylidene-3-[[methyl(2-methylbutyl)amino]methylidene]-N-[2-(trifluoromethoxy)ethyl]cyclohexa-1,5-diene-1-carboxamide
CID 144747277
(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)-2-methyl-4-methylidene-3-[[methyl(piperidin-4-ylmethyl)amino]methylidene]-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexa-1,5-diene-1-carboxamide
CID 144747424
(3E)-N-(2-cyclobutyloxy-6-fluoroheptyl)-2-ethyl-4-methylidene-3-[[methyl(2-methylbutyl)amino]methylidene]cyclohexa-1,5-diene-1-carboxamide
CID 144747578
1-(2-ethoxyethyl)-6-oxo-N-[3-(2,2,2-trifluoroethyl)cyclobutyl]pyridine-3-carboxamide
CID 178166260
(3E)-N-[2-(2-fluoroethoxy)ethyl]-2-methyl-4-methylidene-3-(4-propylheptylidene)cyclohexa-1,5-diene-1-carboxamide
CID 144747355
(3E)-N-[2-(2,2-difluoropropoxy)ethyl]-2-methyl-4-methylidene-3-(4-propylheptylidene)cyclohexa-1,5-diene-1-carboxamide
CID 144747655
(3E)-2-methyl-4-methylidene-3-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methylidene]-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexa-1,5-diene-1-carboxamide
CID 145584565
2-(cycloheptylmethyl)-N-[2-(cyclopropylmethoxy)ethyl]-8-methyl-3H-isoquinoline-7-carboxamide
CID 123201210
3,9-dimethyl-N-(2-morpholin-4-ylethyl)-2-(piperidin-4-ylmethyl)-3,4-dihydro-2-benzazepine-8-carboxamide
CID 123255940

Frequently Asked Questions

What is the IUPAC name of (3E)-2-methyl-4-methylidene-3-[[propan-2-yl(2-propylpentyl)amino]methylidene]-N-(2-propoxyethyl)cyclohexa-1,5-diene-1-carboxamide?
The IUPAC name of (3E)-2-methyl-4-methylidene-3-[[propan-2-yl(2-propylpentyl)amino]methylidene]-N-(2-propoxyethyl)cyclohexa-1,5-diene-1-carboxamide (CID 144747802) is (3E)-2-methyl-4-methylidene-3-[[propan-2-yl(2-propylpentyl)amino]methylidene]-N-(2-propoxyethyl)cyclohexa-1,5-diene-1-carboxamide.
What is the SMILES notation for (3E)-2-methyl-4-methylidene-3-[[propan-2-yl(2-propylpentyl)amino]methylidene]-N-(2-propoxyethyl)cyclohexa-1,5-diene-1-carboxamide?
The canonical SMILES for (3E)-2-methyl-4-methylidene-3-[[propan-2-yl(2-propylpentyl)amino]methylidene]-N-(2-propoxyethyl)cyclohexa-1,5-diene-1-carboxamide is C=c1ccc(C(=O)NCCOCCC)c(C)/c1=C/N(CC(CCC)CCC)C(C)C.
What is the InChIKey of (3E)-2-methyl-4-methylidene-3-[[propan-2-yl(2-propylpentyl)amino]methylidene]-N-(2-propoxyethyl)cyclohexa-1,5-diene-1-carboxamide?
The InChIKey is GQTDSHNAOATXGH-NCELDCMTSA-N. The full InChI is InChI=1S/C26H44N2O2/c1-8-11-23(12-9-2)18-28(20(4)5)19-25-21(6)13-14-24(22(25)7)26(29)27-15-17-30-16-10-3/h13-14,19-20,23H,6,8-12,15-18H2,1-5,7H3,(H,27,29)/b25-19+.
What are the key properties of (3E)-2-methyl-4-methylidene-3-[[propan-2-yl(2-propylpentyl)amino]methylidene]-N-(2-propoxyethyl)cyclohexa-1,5-diene-1-carboxamide?
(3E)-2-methyl-4-methylidene-3-[[propan-2-yl(2-propylpentyl)amino]methylidene]-N-(2-propoxyethyl)cyclohexa-1,5-diene-1-carboxamide has a molecular weight of 416.65 g/mol, XLogP of 4.23, 14 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-2-methyl-4-methylidene-3-[[propan-2-yl(2-propylpentyl)amino]methylidene]-N-(2-propoxyethyl)cyclohexa-1,5-diene-1-carboxamide is sourced from PubChem (CID 144747802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).