N-ethyl-N-(2-ethylidene-4-methoxy-5-methylhexa-3,5-dienyl)-4-methylidenehex-2-enamide

C19H29NO2 — CID 123850279

IUPACN-ethyl-N-(2-ethylidene-4-methoxy-5-methylhexa-3,5-dienyl)-4-methylidenehex-2-enamide
SMILESC=C(C=CC(=O)N(CC)CC(=CC)C=C(OC)C(=C)C)CC
InChIInChI=1S/C19H29NO2/c1-8-16(6)11-12-19(21)20(10-3)14-17(9-2)13-18(22-7)15(4)5/h9,11-13H,4,6,8,10,14H2,1-3,5,7H3
InChIKeyCGMJCTJBTMIKAR-UHFFFAOYSA-N
MW303.45 g/mol
LogP4.41
Rot. Bonds9

About N-ethyl-N-(2-ethylidene-4-methoxy-5-methylhexa-3,5-dienyl)-4-methylidenehex-2-enamide

N-ethyl-N-(2-ethylidene-4-methoxy-5-methylhexa-3,5-dienyl)-4-methylidenehex-2-enamide (PubChem CID 123850279) has the molecular formula C19H29NO2 and a molecular weight of 303.45 g/mol. Its IUPAC name is N-ethyl-N-(2-ethylidene-4-methoxy-5-methylhexa-3,5-dienyl)-4-methylidenehex-2-enamide.

Molecular Properties

Compound NameN-ethyl-N-(2-ethylidene-4-methoxy-5-methylhexa-3,5-dienyl)-4-methylidenehex-2-enamide
PubChem CID123850279
Molecular FormulaC19H29NO2
Molecular Weight303.45 g/mol
Exact Mass303.22
IUPAC NameN-ethyl-N-(2-ethylidene-4-methoxy-5-methylhexa-3,5-dienyl)-4-methylidenehex-2-enamide
SMILESC=C(C=CC(=O)N(CC)CC(=CC)C=C(OC)C(=C)C)CC
InChIInChI=1S/C19H29NO2/c1-8-16(6)11-12-19(21)20(10-3)14-17(9-2)13-18(22-7)15(4)5/h9,11-13H,4,6,8,10,14H2,1-3,5,7H3
InChIKeyCGMJCTJBTMIKAR-UHFFFAOYSA-N
XLogP4.41
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.45
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

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N-[6-(2-methoxy-4-oxocyclohexa-2,5-dien-1-ylidene)-5-methylidenehepta-1,3-dien-2-yl]-N-methylbuta-2,3-dienamide
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N,N-diethyl-5-methyl-3-prop-2-enoxyhepta-2,4,6-trienamide
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1-[5-[(Z)-1-ethenoxyprop-1-enyl]-3,6-dihydro-2H-pyridin-1-yl]prop-2-en-1-one
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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(2-ethylidene-4-methoxy-5-methylhexa-3,5-dienyl)-4-methylidenehex-2-enamide?
The IUPAC name of N-ethyl-N-(2-ethylidene-4-methoxy-5-methylhexa-3,5-dienyl)-4-methylidenehex-2-enamide (CID 123850279) is N-ethyl-N-(2-ethylidene-4-methoxy-5-methylhexa-3,5-dienyl)-4-methylidenehex-2-enamide.
What is the SMILES notation for N-ethyl-N-(2-ethylidene-4-methoxy-5-methylhexa-3,5-dienyl)-4-methylidenehex-2-enamide?
The canonical SMILES for N-ethyl-N-(2-ethylidene-4-methoxy-5-methylhexa-3,5-dienyl)-4-methylidenehex-2-enamide is C=C(C=CC(=O)N(CC)CC(=CC)C=C(OC)C(=C)C)CC.
What is the InChIKey of N-ethyl-N-(2-ethylidene-4-methoxy-5-methylhexa-3,5-dienyl)-4-methylidenehex-2-enamide?
The InChIKey is CGMJCTJBTMIKAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO2/c1-8-16(6)11-12-19(21)20(10-3)14-17(9-2)13-18(22-7)15(4)5/h9,11-13H,4,6,8,10,14H2,1-3,5,7H3.
What are the key properties of N-ethyl-N-(2-ethylidene-4-methoxy-5-methylhexa-3,5-dienyl)-4-methylidenehex-2-enamide?
N-ethyl-N-(2-ethylidene-4-methoxy-5-methylhexa-3,5-dienyl)-4-methylidenehex-2-enamide has a molecular weight of 303.45 g/mol, XLogP of 4.41, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(2-ethylidene-4-methoxy-5-methylhexa-3,5-dienyl)-4-methylidenehex-2-enamide is sourced from PubChem (CID 123850279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).