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

C21H33N3O2 — CID 134188665

IUPAC(3E)-N-(2-methoxyethyl)-2-methyl-4-methylidene-3-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methylidene]cyclohexa-1,5-diene-1-carboxamide
SMILESC=c1ccc(C(=O)NCCOC)c(C)/c1=C/N(C)CC1CCN(C)CC1
InChIInChI=1S/C21H33N3O2/c1-16-6-7-19(21(25)22-10-13-26-5)17(2)20(16)15-24(4)14-18-8-11-23(3)12-9-18/h6-7,15,18H,1,8-14H2,2-5H3,(H,22,25)/b20-15+
InChIKeyUQSHNPSYOMKUDK-HMMYKYKNSA-N
MW359.51 g/mol
LogP0.79
Rot. Bonds7

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

(3E)-N-(2-methoxyethyl)-2-methyl-4-methylidene-3-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methylidene]cyclohexa-1,5-diene-1-carboxamide (PubChem CID 134188665) has the molecular formula C21H33N3O2 and a molecular weight of 359.51 g/mol. Its IUPAC name is (3E)-N-(2-methoxyethyl)-2-methyl-4-methylidene-3-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methylidene]cyclohexa-1,5-diene-1-carboxamide.

Molecular Properties

Compound Name(3E)-N-(2-methoxyethyl)-2-methyl-4-methylidene-3-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methylidene]cyclohexa-1,5-diene-1-carboxamide
PubChem CID134188665
Molecular FormulaC21H33N3O2
Molecular Weight359.51 g/mol
Exact Mass359.26
IUPAC Name(3E)-N-(2-methoxyethyl)-2-methyl-4-methylidene-3-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methylidene]cyclohexa-1,5-diene-1-carboxamide
SMILESC=c1ccc(C(=O)NCCOC)c(C)/c1=C/N(C)CC1CCN(C)CC1
InChIInChI=1S/C21H33N3O2/c1-16-6-7-19(21(25)22-10-13-26-5)17(2)20(16)15-24(4)14-18-8-11-23(3)12-9-18/h6-7,15,18H,1,8-14H2,2-5H3,(H,22,25)/b20-15+
InChIKeyUQSHNPSYOMKUDK-HMMYKYKNSA-N
XLogP0.79
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.51
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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

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Related Compounds

N-({1-[(2E)-2-methylpent-2-en-1-yl]piperidin-4-yl}methyl)-6-oxo-1,6-dihydropyridine-3-carboxamide
CID 56710306
5-chloro-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-6-oxo-1H-pyridine-3-carboxamide
CID 71880013
N-[2-(2,2-difluoropent-3-enoxy)ethyl]-3,9-dimethyl-2-[[1-(4-methylcyclohexa-1,5-diene-1-carbonyl)piperidin-4-yl]methyl]-3,4-dihydro-2-benzazepine-8-carboxamide
CID 123938974
(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-trifluoroethyl)cyclohexa-1,5-diene-1-carboxamide
CID 144747398
(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,4E)-2-methyl-3-[[methyl(piperidin-4-ylmethyl)amino]methylidene]-4-propylidene-N-(2,2,2-trifluoroethyl)cyclohexa-1,5-diene-1-carboxamide
CID 163957088
(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
8-ethyl-3-methylidene-2-(piperidin-4-ylmethyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]isoquinoline-7-carboxamide
CID 162593013
3-(4-aminobut-2-enyl)-4-[(4-methylpiperidin-1-yl)methyl]-1H-pyridin-2-one
CID 57218424
3-(4-aminobut-2-enyl)-4-(morpholin-4-ylmethyl)-1H-pyridin-2-one
CID 57279382

Frequently Asked Questions

What is the IUPAC name of (3E)-N-(2-methoxyethyl)-2-methyl-4-methylidene-3-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methylidene]cyclohexa-1,5-diene-1-carboxamide?
The IUPAC name of (3E)-N-(2-methoxyethyl)-2-methyl-4-methylidene-3-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methylidene]cyclohexa-1,5-diene-1-carboxamide (CID 134188665) is (3E)-N-(2-methoxyethyl)-2-methyl-4-methylidene-3-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methylidene]cyclohexa-1,5-diene-1-carboxamide.
What is the SMILES notation for (3E)-N-(2-methoxyethyl)-2-methyl-4-methylidene-3-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methylidene]cyclohexa-1,5-diene-1-carboxamide?
The canonical SMILES for (3E)-N-(2-methoxyethyl)-2-methyl-4-methylidene-3-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methylidene]cyclohexa-1,5-diene-1-carboxamide is C=c1ccc(C(=O)NCCOC)c(C)/c1=C/N(C)CC1CCN(C)CC1.
What is the InChIKey of (3E)-N-(2-methoxyethyl)-2-methyl-4-methylidene-3-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methylidene]cyclohexa-1,5-diene-1-carboxamide?
The InChIKey is UQSHNPSYOMKUDK-HMMYKYKNSA-N. The full InChI is InChI=1S/C21H33N3O2/c1-16-6-7-19(21(25)22-10-13-26-5)17(2)20(16)15-24(4)14-18-8-11-23(3)12-9-18/h6-7,15,18H,1,8-14H2,2-5H3,(H,22,25)/b20-15+.
What are the key properties of (3E)-N-(2-methoxyethyl)-2-methyl-4-methylidene-3-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methylidene]cyclohexa-1,5-diene-1-carboxamide?
(3E)-N-(2-methoxyethyl)-2-methyl-4-methylidene-3-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methylidene]cyclohexa-1,5-diene-1-carboxamide has a molecular weight of 359.51 g/mol, XLogP of 0.79, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-N-(2-methoxyethyl)-2-methyl-4-methylidene-3-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methylidene]cyclohexa-1,5-diene-1-carboxamide is sourced from PubChem (CID 134188665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).