(2E,4Z)-N,N'-bis(2-methoxyethyl)-2-methyl-6-methylidenehepta-2,4-dienediamide

C15H24N2O4 — CID 142170277

IUPAC(2E,4Z)-N,N'-bis(2-methoxyethyl)-2-methyl-6-methylidenehepta-2,4-dienediamide
SMILESC=C(/C=C\C=C(/C)C(=O)NCCOC)C(=O)NCCOC
InChIInChI=1S/C15H24N2O4/c1-12(14(18)16-8-10-20-3)6-5-7-13(2)15(19)17-9-11-21-4/h5-7H,1,8-11H2,2-4H3,(H,16,18)(H,17,19)/b6-5-,13-7+
InChIKeyYWFPGYWCMIFIJS-RKOYKYSNSA-N
MW296.37 g/mol
LogP0.57
Rot. Bonds10

About (2E,4Z)-N,N'-bis(2-methoxyethyl)-2-methyl-6-methylidenehepta-2,4-dienediamide

(2E,4Z)-N,N'-bis(2-methoxyethyl)-2-methyl-6-methylidenehepta-2,4-dienediamide (PubChem CID 142170277) has the molecular formula C15H24N2O4 and a molecular weight of 296.37 g/mol. Its IUPAC name is (2E,4Z)-N,N'-bis(2-methoxyethyl)-2-methyl-6-methylidenehepta-2,4-dienediamide.

Molecular Properties

Compound Name(2E,4Z)-N,N'-bis(2-methoxyethyl)-2-methyl-6-methylidenehepta-2,4-dienediamide
PubChem CID142170277
Molecular FormulaC15H24N2O4
Molecular Weight296.37 g/mol
Exact Mass296.17
IUPAC Name(2E,4Z)-N,N'-bis(2-methoxyethyl)-2-methyl-6-methylidenehepta-2,4-dienediamide
SMILESC=C(/C=C\C=C(/C)C(=O)NCCOC)C(=O)NCCOC
InChIInChI=1S/C15H24N2O4/c1-12(14(18)16-8-10-20-3)6-5-7-13(2)15(19)17-9-11-21-4/h5-7H,1,8-11H2,2-4H3,(H,16,18)(H,17,19)/b6-5-,13-7+
InChIKeyYWFPGYWCMIFIJS-RKOYKYSNSA-N
XLogP0.57
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

6-ethyl-N-(2-methoxyethyl)-2-oxo-N-propyl-1,2-dihydropyridine-4-carboxamide
CID 74249288
Rehmagluamide
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CID 167046842
(3E)-3-ethylidene-2-methyl-4-methylidene-N-[2-(trifluoromethoxy)ethyl]cyclohexa-1,5-diene-1-carboxamide
CID 144747665
(E)-N-(2-methoxyethyl)-4,4-dimethylpent-2-enamide
CID 21060447
1-(2-methoxyethyl)-6-oxo-N-propan-2-ylpyridine-3-carboxamide
CID 47255955
N-tert-butyl-1-(2-methoxyethyl)-6-oxopyridine-3-carboxamide
CID 47299650
N-tert-butyl-1-(2-ethoxyethyl)-6-oxopyridine-3-carboxamide
CID 57861377
1-(2-ethoxyethyl)-6-oxo-N-propan-2-ylpyridine-3-carboxamide
CID 57861440
1-[2-(2-methoxyethylamino)-2-oxoethyl]-6-oxo-N-propan-2-ylpyridine-3-carboxamide
CID 57861569
N-tert-butyl-1-[2-(2-methoxyethylamino)-2-oxoethyl]-6-oxopyridine-3-carboxamide
CID 57861933
(Z)-N-[2-[2-[[(E)-but-2-enoyl]amino]ethoxy]ethyl]hex-3-enamide
CID 58348975

Frequently Asked Questions

What is the IUPAC name of (2E,4Z)-N,N'-bis(2-methoxyethyl)-2-methyl-6-methylidenehepta-2,4-dienediamide?
The IUPAC name of (2E,4Z)-N,N'-bis(2-methoxyethyl)-2-methyl-6-methylidenehepta-2,4-dienediamide (CID 142170277) is (2E,4Z)-N,N'-bis(2-methoxyethyl)-2-methyl-6-methylidenehepta-2,4-dienediamide.
What is the SMILES notation for (2E,4Z)-N,N'-bis(2-methoxyethyl)-2-methyl-6-methylidenehepta-2,4-dienediamide?
The canonical SMILES for (2E,4Z)-N,N'-bis(2-methoxyethyl)-2-methyl-6-methylidenehepta-2,4-dienediamide is C=C(/C=C\C=C(/C)C(=O)NCCOC)C(=O)NCCOC.
What is the InChIKey of (2E,4Z)-N,N'-bis(2-methoxyethyl)-2-methyl-6-methylidenehepta-2,4-dienediamide?
The InChIKey is YWFPGYWCMIFIJS-RKOYKYSNSA-N. The full InChI is InChI=1S/C15H24N2O4/c1-12(14(18)16-8-10-20-3)6-5-7-13(2)15(19)17-9-11-21-4/h5-7H,1,8-11H2,2-4H3,(H,16,18)(H,17,19)/b6-5-,13-7+.
What are the key properties of (2E,4Z)-N,N'-bis(2-methoxyethyl)-2-methyl-6-methylidenehepta-2,4-dienediamide?
(2E,4Z)-N,N'-bis(2-methoxyethyl)-2-methyl-6-methylidenehepta-2,4-dienediamide has a molecular weight of 296.37 g/mol, XLogP of 0.57, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4Z)-N,N'-bis(2-methoxyethyl)-2-methyl-6-methylidenehepta-2,4-dienediamide is sourced from PubChem (CID 142170277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).