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

C23H36N2O2 — CID 144747326

IUPAC(3E)-2-ethyl-4-methylidene-3-[[methyl(2-methylbutyl)amino]methylidene]-N-(oxan-2-ylmethyl)cyclohexa-1,5-diene-1-carboxamide
SMILESC=c1ccc(C(=O)NCC2CCCCO2)c(CC)/c1=C/N(C)CC(C)CC
InChIInChI=1S/C23H36N2O2/c1-6-17(3)15-25(5)16-22-18(4)11-12-21(20(22)7-2)23(26)24-14-19-10-8-9-13-27-19/h11-12,16-17,19H,4,6-10,13-15H2,1-3,5H3,(H,24,26)/b22-16+
InChIKeyINFSQRAQGLKRFI-CJLVFECKSA-N
MW372.55 g/mol
LogP2.67
Rot. Bonds8

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

(3E)-2-ethyl-4-methylidene-3-[[methyl(2-methylbutyl)amino]methylidene]-N-(oxan-2-ylmethyl)cyclohexa-1,5-diene-1-carboxamide (PubChem CID 144747326) has the molecular formula C23H36N2O2 and a molecular weight of 372.55 g/mol. Its IUPAC name is (3E)-2-ethyl-4-methylidene-3-[[methyl(2-methylbutyl)amino]methylidene]-N-(oxan-2-ylmethyl)cyclohexa-1,5-diene-1-carboxamide.

Molecular Properties

Compound Name(3E)-2-ethyl-4-methylidene-3-[[methyl(2-methylbutyl)amino]methylidene]-N-(oxan-2-ylmethyl)cyclohexa-1,5-diene-1-carboxamide
PubChem CID144747326
Molecular FormulaC23H36N2O2
Molecular Weight372.55 g/mol
Exact Mass372.28
IUPAC Name(3E)-2-ethyl-4-methylidene-3-[[methyl(2-methylbutyl)amino]methylidene]-N-(oxan-2-ylmethyl)cyclohexa-1,5-diene-1-carboxamide
SMILESC=c1ccc(C(=O)NCC2CCCCO2)c(CC)/c1=C/N(C)CC(C)CC
InChIInChI=1S/C23H36N2O2/c1-6-17(3)15-25(5)16-22-18(4)11-12-21(20(22)7-2)23(26)24-14-19-10-8-9-13-27-19/h11-12,16-17,19H,4,6-10,13-15H2,1-3,5H3,(H,24,26)/b22-16+
InChIKeyINFSQRAQGLKRFI-CJLVFECKSA-N
XLogP2.67
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.55
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-methyl-2-oxo-N-(tetrahydro-2H-pyran-2-ylmethyl)-1,2-dihydropyridine-4-carboxamide
CID 86284995
(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
5-{[2-(Cyclohexylmethyl)-4-morpholinyl]carbonyl}-2-pyridinol
CID 45250530
(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
N-(2-cyclohexyloxyethyl)-1-methyl-6-oxopyridine-3-carboxamide
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(2E,4E)-3-methyl-N-(oxan-2-ylmethyl)nona-2,4-dienamide
CID 88991033
N-(2-methoxyethyl)-3,9-dimethyl-2-(piperidin-4-ylmethyl)-3,4-dihydro-2-benzazepine-8-carboxamide
CID 123257785
N-[2-(cyclopropylmethoxy)ethyl]-3-ethylidene-2-methyl-4-(3-methyl-6-piperidin-4-ylhex-4-enylidene)cyclohexa-1,5-diene-1-carboxamide
CID 123358193
2-(cyclohex-3-en-1-ylmethyl)-N-(2-methoxybutyl)-6-methylisoquinoline-7-carboxamide
CID 123431252
9-ethyl-N-(2-methoxyethyl)-3-methyl-2-(piperidin-4-ylmethyl)-3,4-dihydro-2-benzazepine-8-carboxamide
CID 123563182
3-methyl-N-(oxan-2-ylmethyl)nona-2,4-dienamide
CID 123678431

Frequently Asked Questions

What is the IUPAC name of (3E)-2-ethyl-4-methylidene-3-[[methyl(2-methylbutyl)amino]methylidene]-N-(oxan-2-ylmethyl)cyclohexa-1,5-diene-1-carboxamide?
The IUPAC name of (3E)-2-ethyl-4-methylidene-3-[[methyl(2-methylbutyl)amino]methylidene]-N-(oxan-2-ylmethyl)cyclohexa-1,5-diene-1-carboxamide (CID 144747326) is (3E)-2-ethyl-4-methylidene-3-[[methyl(2-methylbutyl)amino]methylidene]-N-(oxan-2-ylmethyl)cyclohexa-1,5-diene-1-carboxamide.
What is the SMILES notation for (3E)-2-ethyl-4-methylidene-3-[[methyl(2-methylbutyl)amino]methylidene]-N-(oxan-2-ylmethyl)cyclohexa-1,5-diene-1-carboxamide?
The canonical SMILES for (3E)-2-ethyl-4-methylidene-3-[[methyl(2-methylbutyl)amino]methylidene]-N-(oxan-2-ylmethyl)cyclohexa-1,5-diene-1-carboxamide is C=c1ccc(C(=O)NCC2CCCCO2)c(CC)/c1=C/N(C)CC(C)CC.
What is the InChIKey of (3E)-2-ethyl-4-methylidene-3-[[methyl(2-methylbutyl)amino]methylidene]-N-(oxan-2-ylmethyl)cyclohexa-1,5-diene-1-carboxamide?
The InChIKey is INFSQRAQGLKRFI-CJLVFECKSA-N. The full InChI is InChI=1S/C23H36N2O2/c1-6-17(3)15-25(5)16-22-18(4)11-12-21(20(22)7-2)23(26)24-14-19-10-8-9-13-27-19/h11-12,16-17,19H,4,6-10,13-15H2,1-3,5H3,(H,24,26)/b22-16+.
What are the key properties of (3E)-2-ethyl-4-methylidene-3-[[methyl(2-methylbutyl)amino]methylidene]-N-(oxan-2-ylmethyl)cyclohexa-1,5-diene-1-carboxamide?
(3E)-2-ethyl-4-methylidene-3-[[methyl(2-methylbutyl)amino]methylidene]-N-(oxan-2-ylmethyl)cyclohexa-1,5-diene-1-carboxamide has a molecular weight of 372.55 g/mol, XLogP of 2.67, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-2-ethyl-4-methylidene-3-[[methyl(2-methylbutyl)amino]methylidene]-N-(oxan-2-ylmethyl)cyclohexa-1,5-diene-1-carboxamide is sourced from PubChem (CID 144747326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).