(2Z,4Z,5Z)-4-ethylidene-5,6-dimethyl-2-(methylamino)-N-prop-1-en-2-ylocta-2,5,7-trienamide

C16H24N2O — CID 142908284

IUPAC(2Z,4Z,5Z)-4-ethylidene-5,6-dimethyl-2-(methylamino)-N-prop-1-en-2-ylocta-2,5,7-trienamide
SMILESC=C/C(C)=C(C)\C(/C=C(\NC)C(=O)NC(=C)C)=C/C
InChIInChI=1S/C16H24N2O/c1-8-12(5)13(6)14(9-2)10-15(17-7)16(19)18-11(3)4/h8-10,17H,1,3H2,2,4-7H3,(H,18,19)/b13-12-,14-9-,15-10-
InChIKeyDXWMCMJCRHWKTO-ANQVQQBYSA-N
MW260.38 g/mol
LogP3.21
Rot. Bonds6

About (2Z,4Z,5Z)-4-ethylidene-5,6-dimethyl-2-(methylamino)-N-prop-1-en-2-ylocta-2,5,7-trienamide

(2Z,4Z,5Z)-4-ethylidene-5,6-dimethyl-2-(methylamino)-N-prop-1-en-2-ylocta-2,5,7-trienamide (PubChem CID 142908284) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is (2Z,4Z,5Z)-4-ethylidene-5,6-dimethyl-2-(methylamino)-N-prop-1-en-2-ylocta-2,5,7-trienamide.

Molecular Properties

Compound Name(2Z,4Z,5Z)-4-ethylidene-5,6-dimethyl-2-(methylamino)-N-prop-1-en-2-ylocta-2,5,7-trienamide
PubChem CID142908284
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name(2Z,4Z,5Z)-4-ethylidene-5,6-dimethyl-2-(methylamino)-N-prop-1-en-2-ylocta-2,5,7-trienamide
SMILESC=C/C(C)=C(C)\C(/C=C(\NC)C(=O)NC(=C)C)=C/C
InChIInChI=1S/C16H24N2O/c1-8-12(5)13(6)14(9-2)10-15(17-7)16(19)18-11(3)4/h8-10,17H,1,3H2,2,4-7H3,(H,18,19)/b13-12-,14-9-,15-10-
InChIKeyDXWMCMJCRHWKTO-ANQVQQBYSA-N
XLogP3.21
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2Z,4Z,5Z)-4-ethylidene-5,6-dimethyl-2-(methylamino)-N-prop-1-en-2-ylocta-2,5,7-trienamide?
The IUPAC name of (2Z,4Z,5Z)-4-ethylidene-5,6-dimethyl-2-(methylamino)-N-prop-1-en-2-ylocta-2,5,7-trienamide (CID 142908284) is (2Z,4Z,5Z)-4-ethylidene-5,6-dimethyl-2-(methylamino)-N-prop-1-en-2-ylocta-2,5,7-trienamide.
What is the SMILES notation for (2Z,4Z,5Z)-4-ethylidene-5,6-dimethyl-2-(methylamino)-N-prop-1-en-2-ylocta-2,5,7-trienamide?
The canonical SMILES for (2Z,4Z,5Z)-4-ethylidene-5,6-dimethyl-2-(methylamino)-N-prop-1-en-2-ylocta-2,5,7-trienamide is C=C/C(C)=C(C)\C(/C=C(\NC)C(=O)NC(=C)C)=C/C.
What is the InChIKey of (2Z,4Z,5Z)-4-ethylidene-5,6-dimethyl-2-(methylamino)-N-prop-1-en-2-ylocta-2,5,7-trienamide?
The InChIKey is DXWMCMJCRHWKTO-ANQVQQBYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-8-12(5)13(6)14(9-2)10-15(17-7)16(19)18-11(3)4/h8-10,17H,1,3H2,2,4-7H3,(H,18,19)/b13-12-,14-9-,15-10-.
What are the key properties of (2Z,4Z,5Z)-4-ethylidene-5,6-dimethyl-2-(methylamino)-N-prop-1-en-2-ylocta-2,5,7-trienamide?
(2Z,4Z,5Z)-4-ethylidene-5,6-dimethyl-2-(methylamino)-N-prop-1-en-2-ylocta-2,5,7-trienamide has a molecular weight of 260.38 g/mol, XLogP of 3.21, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4Z,5Z)-4-ethylidene-5,6-dimethyl-2-(methylamino)-N-prop-1-en-2-ylocta-2,5,7-trienamide is sourced from PubChem (CID 142908284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).