4-ethylidene-N,N',2,3-tetramethylidene-5-propan-2-ylidenehexanediamide

C15H18N2O2 — CID 173361842

IUPAC4-ethylidene-N,N',2,3-tetramethylidene-5-propan-2-ylidenehexanediamide
SMILESC=NC(=O)C(=C)C(=C)C(=CC)C(C(=O)N=C)=C(C)C
InChIInChI=1S/C15H18N2O2/c1-8-12(10(4)11(5)14(18)16-6)13(9(2)3)15(19)17-7/h8H,4-7H2,1-3H3
InChIKeyVTPLYFRJNAIPIQ-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.84
Rot. Bonds5

About 4-ethylidene-N,N',2,3-tetramethylidene-5-propan-2-ylidenehexanediamide

4-ethylidene-N,N',2,3-tetramethylidene-5-propan-2-ylidenehexanediamide (PubChem CID 173361842) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 4-ethylidene-N,N',2,3-tetramethylidene-5-propan-2-ylidenehexanediamide.

Molecular Properties

Compound Name4-ethylidene-N,N',2,3-tetramethylidene-5-propan-2-ylidenehexanediamide
PubChem CID173361842
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name4-ethylidene-N,N',2,3-tetramethylidene-5-propan-2-ylidenehexanediamide
SMILESC=NC(=O)C(=C)C(=C)C(=CC)C(C(=O)N=C)=C(C)C
InChIInChI=1S/C15H18N2O2/c1-8-12(10(4)11(5)14(18)16-6)13(9(2)3)15(19)17-7/h8H,4-7H2,1-3H3
InChIKeyVTPLYFRJNAIPIQ-UHFFFAOYSA-N
XLogP2.84
TPSA58.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'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 4-ethylidene-N,N',2,3-tetramethylidene-5-propan-2-ylidenehexanediamide?
The IUPAC name of 4-ethylidene-N,N',2,3-tetramethylidene-5-propan-2-ylidenehexanediamide (CID 173361842) is 4-ethylidene-N,N',2,3-tetramethylidene-5-propan-2-ylidenehexanediamide.
What is the SMILES notation for 4-ethylidene-N,N',2,3-tetramethylidene-5-propan-2-ylidenehexanediamide?
The canonical SMILES for 4-ethylidene-N,N',2,3-tetramethylidene-5-propan-2-ylidenehexanediamide is C=NC(=O)C(=C)C(=C)C(=CC)C(C(=O)N=C)=C(C)C.
What is the InChIKey of 4-ethylidene-N,N',2,3-tetramethylidene-5-propan-2-ylidenehexanediamide?
The InChIKey is VTPLYFRJNAIPIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-8-12(10(4)11(5)14(18)16-6)13(9(2)3)15(19)17-7/h8H,4-7H2,1-3H3.
What are the key properties of 4-ethylidene-N,N',2,3-tetramethylidene-5-propan-2-ylidenehexanediamide?
4-ethylidene-N,N',2,3-tetramethylidene-5-propan-2-ylidenehexanediamide has a molecular weight of 258.32 g/mol, XLogP of 2.84, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethylidene-N,N',2,3-tetramethylidene-5-propan-2-ylidenehexanediamide is sourced from PubChem (CID 173361842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).