(3Z)-3-ethylidene-N-(2-methoxyethyl)-6-methyl-4-methylidenecyclohexa-1,5-diene-1-carboxamide

C14H19NO2 — CID 134188719

IUPAC(3Z)-3-ethylidene-N-(2-methoxyethyl)-6-methyl-4-methylidenecyclohexa-1,5-diene-1-carboxamide
SMILESC=c1cc(C)c(C(=O)NCCOC)c/c1=C/C
InChIInChI=1S/C14H19NO2/c1-5-12-9-13(11(3)8-10(12)2)14(16)15-6-7-17-4/h5,8-9H,2,6-7H2,1,3-4H3,(H,15,16)/b12-5-
InChIKeyKOPBSVSVAWFRDA-XGICHPGQSA-N
MW233.31 g/mol
LogP0.58
Rot. Bonds4

About (3Z)-3-ethylidene-N-(2-methoxyethyl)-6-methyl-4-methylidenecyclohexa-1,5-diene-1-carboxamide

(3Z)-3-ethylidene-N-(2-methoxyethyl)-6-methyl-4-methylidenecyclohexa-1,5-diene-1-carboxamide (PubChem CID 134188719) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is (3Z)-3-ethylidene-N-(2-methoxyethyl)-6-methyl-4-methylidenecyclohexa-1,5-diene-1-carboxamide.

Molecular Properties

Compound Name(3Z)-3-ethylidene-N-(2-methoxyethyl)-6-methyl-4-methylidenecyclohexa-1,5-diene-1-carboxamide
PubChem CID134188719
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name(3Z)-3-ethylidene-N-(2-methoxyethyl)-6-methyl-4-methylidenecyclohexa-1,5-diene-1-carboxamide
SMILESC=c1cc(C)c(C(=O)NCCOC)c/c1=C/C
InChIInChI=1S/C14H19NO2/c1-5-12-9-13(11(3)8-10(12)2)14(16)15-6-7-17-4/h5,8-9H,2,6-7H2,1,3-4H3,(H,15,16)/b12-5-
InChIKeyKOPBSVSVAWFRDA-XGICHPGQSA-N
XLogP0.58
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,5-dibromo-1-N,4-N-bis(2-methoxyethyl)benzene-1,4-dicarboxamide
CID 34673873
5-amino-N-[3-(2-methoxyethylamino)-3-oxopropyl]-2,4-dimethylbenzamide
CID 102705898
ethane;N-(2-methoxyethyl)-2,4-dimethylbenzamide
CID 178149105
N-(2-methoxyethyl)-2-methyl-5-sulfanylbenzamide
CID 107019480
N-(2-methoxyethyl)-4,6-dimethylpyridine-3-carboxamide
CID 123301076
5-(2-methoxyethylcarbamoyl)-2,4-dimethylbenzenesulfonyl chloride
CID 65368514
(3Z)-3-[[[2-ethyl-5-[4-(4-fluorophenyl)phenyl]-5-oxopentyl]-methylamino]methylidene]-N-(2-methoxyethyl)-6-methyl-4-methylidenecyclohexa-1,5-diene-1-carboxamide
CID 144747303
N-(2-methoxyethyl)-8-methyl-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
CID 50812310
1-N,2-N-bis(2-methoxyethyl)benzene-1,2-dicarboxamide
CID 4574574
5-(3-hydroxyprop-1-ynyl)-N-(2-methoxyethyl)-2-methylbenzamide
CID 65311317
5-amino-N-[2-(2-methoxyethylamino)-2-oxoethyl]-2-methylbenzamide;hydrochloride
CID 120618901
5-chloro-2-hydrazinyl-N-(2-methoxyethyl)benzamide
CID 62235921

Frequently Asked Questions

What is the IUPAC name of (3Z)-3-ethylidene-N-(2-methoxyethyl)-6-methyl-4-methylidenecyclohexa-1,5-diene-1-carboxamide?
The IUPAC name of (3Z)-3-ethylidene-N-(2-methoxyethyl)-6-methyl-4-methylidenecyclohexa-1,5-diene-1-carboxamide (CID 134188719) is (3Z)-3-ethylidene-N-(2-methoxyethyl)-6-methyl-4-methylidenecyclohexa-1,5-diene-1-carboxamide.
What is the SMILES notation for (3Z)-3-ethylidene-N-(2-methoxyethyl)-6-methyl-4-methylidenecyclohexa-1,5-diene-1-carboxamide?
The canonical SMILES for (3Z)-3-ethylidene-N-(2-methoxyethyl)-6-methyl-4-methylidenecyclohexa-1,5-diene-1-carboxamide is C=c1cc(C)c(C(=O)NCCOC)c/c1=C/C.
What is the InChIKey of (3Z)-3-ethylidene-N-(2-methoxyethyl)-6-methyl-4-methylidenecyclohexa-1,5-diene-1-carboxamide?
The InChIKey is KOPBSVSVAWFRDA-XGICHPGQSA-N. The full InChI is InChI=1S/C14H19NO2/c1-5-12-9-13(11(3)8-10(12)2)14(16)15-6-7-17-4/h5,8-9H,2,6-7H2,1,3-4H3,(H,15,16)/b12-5-.
What are the key properties of (3Z)-3-ethylidene-N-(2-methoxyethyl)-6-methyl-4-methylidenecyclohexa-1,5-diene-1-carboxamide?
(3Z)-3-ethylidene-N-(2-methoxyethyl)-6-methyl-4-methylidenecyclohexa-1,5-diene-1-carboxamide has a molecular weight of 233.31 g/mol, XLogP of 0.58, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-ethylidene-N-(2-methoxyethyl)-6-methyl-4-methylidenecyclohexa-1,5-diene-1-carboxamide is sourced from PubChem (CID 134188719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).