(E)-2,7-dimethylidene-N,N'-bis(prop-2-enyl)oct-4-enediamide

C16H22N2O2 — CID 175865307

IUPAC(E)-2,7-dimethylidene-N,N'-bis(prop-2-enyl)oct-4-enediamide
SMILESC=CCNC(=O)C(=C)C/C=C/CC(=C)C(=O)NCC=C
InChIInChI=1S/C16H22N2O2/c1-5-11-17-15(19)13(3)9-7-8-10-14(4)16(20)18-12-6-2/h5-8H,1-4,9-12H2,(H,17,19)(H,18,20)/b8-7+
InChIKeyDLVGTDYVTSHHTJ-BQYQJAHWSA-N
MW274.36 g/mol
LogP2.04
Rot. Bonds10

About (E)-2,7-dimethylidene-N,N'-bis(prop-2-enyl)oct-4-enediamide

(E)-2,7-dimethylidene-N,N'-bis(prop-2-enyl)oct-4-enediamide (PubChem CID 175865307) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is (E)-2,7-dimethylidene-N,N'-bis(prop-2-enyl)oct-4-enediamide.

Molecular Properties

Compound Name(E)-2,7-dimethylidene-N,N'-bis(prop-2-enyl)oct-4-enediamide
PubChem CID175865307
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name(E)-2,7-dimethylidene-N,N'-bis(prop-2-enyl)oct-4-enediamide
SMILESC=CCNC(=O)C(=C)C/C=C/CC(=C)C(=O)NCC=C
InChIInChI=1S/C16H22N2O2/c1-5-11-17-15(19)13(3)9-7-8-10-14(4)16(20)18-12-6-2/h5-8H,1-4,9-12H2,(H,17,19)(H,18,20)/b8-7+
InChIKeyDLVGTDYVTSHHTJ-BQYQJAHWSA-N
XLogP2.04
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-oxo-3-(prop-2-enylamino)prop-1-ene-2-sulfonic acid
CID 87500396
2-methyl-N-prop-2-enylprop-2-enamide;hydrochloride
CID 173399852
2-(prop-2-enylcarbamoyl)prop-2-enyl hydrogen sulfate
CID 87188026
N-(3-hydroxypropyl)-N'-prop-2-enyloxamide
CID 3099196
2-[bis(prop-2-enyl)amino]-N-prop-2-enylprop-2-enamide
CID 87504024
N-prop-2-enyl(113C)but-3-enamide
CID 173349564
(Z)-2-hydroxy-N-prop-2-enylbut-2-enamide
CID 87714172
N-(5-hydroxypentyl)-N'-prop-2-enyloxamide
CID 108525776
N-(3-formamidopropyl)-N'-prop-2-enyloxamide
CID 108526430
prop-2-enylcarbamic acid;hydrate
CID 173458484
3-(methylamino)-2-oxo-N-prop-2-enylpropanamide
CID 143353566
N'-(4-ethylphenyl)-N-prop-2-enyloxamide
CID 7541573

Frequently Asked Questions

What is the IUPAC name of (E)-2,7-dimethylidene-N,N'-bis(prop-2-enyl)oct-4-enediamide?
The IUPAC name of (E)-2,7-dimethylidene-N,N'-bis(prop-2-enyl)oct-4-enediamide (CID 175865307) is (E)-2,7-dimethylidene-N,N'-bis(prop-2-enyl)oct-4-enediamide.
What is the SMILES notation for (E)-2,7-dimethylidene-N,N'-bis(prop-2-enyl)oct-4-enediamide?
The canonical SMILES for (E)-2,7-dimethylidene-N,N'-bis(prop-2-enyl)oct-4-enediamide is C=CCNC(=O)C(=C)C/C=C/CC(=C)C(=O)NCC=C.
What is the InChIKey of (E)-2,7-dimethylidene-N,N'-bis(prop-2-enyl)oct-4-enediamide?
The InChIKey is DLVGTDYVTSHHTJ-BQYQJAHWSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-5-11-17-15(19)13(3)9-7-8-10-14(4)16(20)18-12-6-2/h5-8H,1-4,9-12H2,(H,17,19)(H,18,20)/b8-7+.
What are the key properties of (E)-2,7-dimethylidene-N,N'-bis(prop-2-enyl)oct-4-enediamide?
(E)-2,7-dimethylidene-N,N'-bis(prop-2-enyl)oct-4-enediamide has a molecular weight of 274.36 g/mol, XLogP of 2.04, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2,7-dimethylidene-N,N'-bis(prop-2-enyl)oct-4-enediamide is sourced from PubChem (CID 175865307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).