(E)-4-(dimethylamino)-N-[(3E)-6-methylhepta-1,3,5-trien-3-yl]but-2-enamide

C14H22N2O — CID 144832747

IUPAC(E)-4-(dimethylamino)-N-[(3E)-6-methylhepta-1,3,5-trien-3-yl]but-2-enamide
SMILESC=C/C(=C\C=C(C)C)NC(=O)/C=C/CN(C)C
InChIInChI=1S/C14H22N2O/c1-6-13(10-9-12(2)3)15-14(17)8-7-11-16(4)5/h6-10H,1,11H2,2-5H3,(H,15,17)/b8-7+,13-10+
InChIKeyWYAOEGZFNIBJRS-AWGJLQHSSA-N
MW234.34 g/mol
LogP2.26
Rot. Bonds6

About (E)-4-(dimethylamino)-N-[(3E)-6-methylhepta-1,3,5-trien-3-yl]but-2-enamide

(E)-4-(dimethylamino)-N-[(3E)-6-methylhepta-1,3,5-trien-3-yl]but-2-enamide (PubChem CID 144832747) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is (E)-4-(dimethylamino)-N-[(3E)-6-methylhepta-1,3,5-trien-3-yl]but-2-enamide.

Molecular Properties

Compound Name(E)-4-(dimethylamino)-N-[(3E)-6-methylhepta-1,3,5-trien-3-yl]but-2-enamide
PubChem CID144832747
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name(E)-4-(dimethylamino)-N-[(3E)-6-methylhepta-1,3,5-trien-3-yl]but-2-enamide
SMILESC=C/C(=C\C=C(C)C)NC(=O)/C=C/CN(C)C
InChIInChI=1S/C14H22N2O/c1-6-13(10-9-12(2)3)15-14(17)8-7-11-16(4)5/h6-10H,1,11H2,2-5H3,(H,15,17)/b8-7+,13-10+
InChIKeyWYAOEGZFNIBJRS-AWGJLQHSSA-N
XLogP2.26
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.26
H-Bond Donors ≤ 51
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 (E)-4-(dimethylamino)-N-[(3E)-6-methylhepta-1,3,5-trien-3-yl]but-2-enamide?
The IUPAC name of (E)-4-(dimethylamino)-N-[(3E)-6-methylhepta-1,3,5-trien-3-yl]but-2-enamide (CID 144832747) is (E)-4-(dimethylamino)-N-[(3E)-6-methylhepta-1,3,5-trien-3-yl]but-2-enamide.
What is the SMILES notation for (E)-4-(dimethylamino)-N-[(3E)-6-methylhepta-1,3,5-trien-3-yl]but-2-enamide?
The canonical SMILES for (E)-4-(dimethylamino)-N-[(3E)-6-methylhepta-1,3,5-trien-3-yl]but-2-enamide is C=C/C(=C\C=C(C)C)NC(=O)/C=C/CN(C)C.
What is the InChIKey of (E)-4-(dimethylamino)-N-[(3E)-6-methylhepta-1,3,5-trien-3-yl]but-2-enamide?
The InChIKey is WYAOEGZFNIBJRS-AWGJLQHSSA-N. The full InChI is InChI=1S/C14H22N2O/c1-6-13(10-9-12(2)3)15-14(17)8-7-11-16(4)5/h6-10H,1,11H2,2-5H3,(H,15,17)/b8-7+,13-10+.
What are the key properties of (E)-4-(dimethylamino)-N-[(3E)-6-methylhepta-1,3,5-trien-3-yl]but-2-enamide?
(E)-4-(dimethylamino)-N-[(3E)-6-methylhepta-1,3,5-trien-3-yl]but-2-enamide has a molecular weight of 234.34 g/mol, XLogP of 2.26, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-(dimethylamino)-N-[(3E)-6-methylhepta-1,3,5-trien-3-yl]but-2-enamide is sourced from PubChem (CID 144832747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).