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

C21H32N2O2 — CID 144747547

IUPAC(3E)-N-(2-cyclopropyloxyethyl)-2-methyl-4-methylidene-3-[[methyl(2-methylbutyl)amino]methylidene]cyclohexa-1,5-diene-1-carboxamide
SMILESC=c1ccc(C(=O)NCCOC2CC2)c(C)/c1=C/N(C)CC(C)CC
InChIInChI=1S/C21H32N2O2/c1-6-15(2)13-23(5)14-20-16(3)7-10-19(17(20)4)21(24)22-11-12-25-18-8-9-18/h7,10,14-15,18H,3,6,8-9,11-13H2,1-2,4-5H3,(H,22,24)/b20-14+
InChIKeyZVDXKZDDJDGPOP-XSFVSMFZSA-N
MW344.50 g/mol
LogP2.03
Rot. Bonds9

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

(3E)-N-(2-cyclopropyloxyethyl)-2-methyl-4-methylidene-3-[[methyl(2-methylbutyl)amino]methylidene]cyclohexa-1,5-diene-1-carboxamide (PubChem CID 144747547) has the molecular formula C21H32N2O2 and a molecular weight of 344.50 g/mol. Its IUPAC name is (3E)-N-(2-cyclopropyloxyethyl)-2-methyl-4-methylidene-3-[[methyl(2-methylbutyl)amino]methylidene]cyclohexa-1,5-diene-1-carboxamide.

Molecular Properties

Compound Name(3E)-N-(2-cyclopropyloxyethyl)-2-methyl-4-methylidene-3-[[methyl(2-methylbutyl)amino]methylidene]cyclohexa-1,5-diene-1-carboxamide
PubChem CID144747547
Molecular FormulaC21H32N2O2
Molecular Weight344.50 g/mol
Exact Mass344.25
IUPAC Name(3E)-N-(2-cyclopropyloxyethyl)-2-methyl-4-methylidene-3-[[methyl(2-methylbutyl)amino]methylidene]cyclohexa-1,5-diene-1-carboxamide
SMILESC=c1ccc(C(=O)NCCOC2CC2)c(C)/c1=C/N(C)CC(C)CC
InChIInChI=1S/C21H32N2O2/c1-6-15(2)13-23(5)14-20-16(3)7-10-19(17(20)4)21(24)22-11-12-25-18-8-9-18/h7,10,14-15,18H,3,6,8-9,11-13H2,1-2,4-5H3,(H,22,24)/b20-14+
InChIKeyZVDXKZDDJDGPOP-XSFVSMFZSA-N
XLogP2.03
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.50
LogP ≤ 52.03
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-(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)-N-(2-cyclobutyloxy-6-fluoroheptyl)-2-ethyl-4-methylidene-3-[[methyl(2-methylbutyl)amino]methylidene]cyclohexa-1,5-diene-1-carboxamide
CID 144747578
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-(azetidin-3-ylmethyl)-N-(2-cyclopropyloxyethyl)-8-methylisoquinoline-7-carboxamide
CID 124021395
(3E)-N-[2-(cyclopropylmethoxy)ethyl]-2-methyl-4-methylidene-3-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methylidene]cyclohexa-1,5-diene-1-carboxamide
CID 134188616
(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
(3E)-N-(2-methoxyethyl)-2-methyl-4-methylidene-3-[[methyl(pyrrolidin-3-ylmethyl)amino]methylidene]cyclohexa-1,5-diene-1-carboxamide
CID 134188799
(3E)-N-(2-methoxyethyl)-2-methyl-4-methylidene-3-[[methyl(piperidin-4-ylmethyl)amino]methylidene]cyclohexa-1,5-diene-1-carboxamide
CID 134188824
(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)-3-[[azetidin-3-ylmethyl(methyl)amino]methylidene]-N-(2-methoxyethyl)-2-methyl-4-methylidenecyclohexa-1,5-diene-1-carboxamide
CID 134188969

Frequently Asked Questions

What is the IUPAC name of (3E)-N-(2-cyclopropyloxyethyl)-2-methyl-4-methylidene-3-[[methyl(2-methylbutyl)amino]methylidene]cyclohexa-1,5-diene-1-carboxamide?
The IUPAC name of (3E)-N-(2-cyclopropyloxyethyl)-2-methyl-4-methylidene-3-[[methyl(2-methylbutyl)amino]methylidene]cyclohexa-1,5-diene-1-carboxamide (CID 144747547) is (3E)-N-(2-cyclopropyloxyethyl)-2-methyl-4-methylidene-3-[[methyl(2-methylbutyl)amino]methylidene]cyclohexa-1,5-diene-1-carboxamide.
What is the SMILES notation for (3E)-N-(2-cyclopropyloxyethyl)-2-methyl-4-methylidene-3-[[methyl(2-methylbutyl)amino]methylidene]cyclohexa-1,5-diene-1-carboxamide?
The canonical SMILES for (3E)-N-(2-cyclopropyloxyethyl)-2-methyl-4-methylidene-3-[[methyl(2-methylbutyl)amino]methylidene]cyclohexa-1,5-diene-1-carboxamide is C=c1ccc(C(=O)NCCOC2CC2)c(C)/c1=C/N(C)CC(C)CC.
What is the InChIKey of (3E)-N-(2-cyclopropyloxyethyl)-2-methyl-4-methylidene-3-[[methyl(2-methylbutyl)amino]methylidene]cyclohexa-1,5-diene-1-carboxamide?
The InChIKey is ZVDXKZDDJDGPOP-XSFVSMFZSA-N. The full InChI is InChI=1S/C21H32N2O2/c1-6-15(2)13-23(5)14-20-16(3)7-10-19(17(20)4)21(24)22-11-12-25-18-8-9-18/h7,10,14-15,18H,3,6,8-9,11-13H2,1-2,4-5H3,(H,22,24)/b20-14+.
What are the key properties of (3E)-N-(2-cyclopropyloxyethyl)-2-methyl-4-methylidene-3-[[methyl(2-methylbutyl)amino]methylidene]cyclohexa-1,5-diene-1-carboxamide?
(3E)-N-(2-cyclopropyloxyethyl)-2-methyl-4-methylidene-3-[[methyl(2-methylbutyl)amino]methylidene]cyclohexa-1,5-diene-1-carboxamide has a molecular weight of 344.50 g/mol, XLogP of 2.03, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-N-(2-cyclopropyloxyethyl)-2-methyl-4-methylidene-3-[[methyl(2-methylbutyl)amino]methylidene]cyclohexa-1,5-diene-1-carboxamide is sourced from PubChem (CID 144747547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).