(E)-N,2-dimethyl-N-[(2E,4E)-2-methyl-4-[(Z)-prop-1-enyl]hepta-2,4,6-trienyl]but-2-enamide

C17H25NO — CID 142918916

IUPAC(E)-N,2-dimethyl-N-[(2E,4E)-2-methyl-4-[(Z)-prop-1-enyl]hepta-2,4,6-trienyl]but-2-enamide
SMILESC=C/C=C(\C=C/C)/C=C(\C)CN(C)C(=O)/C(C)=C/C
InChIInChI=1S/C17H25NO/c1-7-10-16(11-8-2)12-14(4)13-18(6)17(19)15(5)9-3/h7-12H,1,13H2,2-6H3/b11-8-,14-12+,15-9+,16-10+
InChIKeyYMVKMJQQLXVOHB-NLAWJLBZSA-N
MW259.39 g/mol
LogP4.05
Rot. Bonds6

About (E)-N,2-dimethyl-N-[(2E,4E)-2-methyl-4-[(Z)-prop-1-enyl]hepta-2,4,6-trienyl]but-2-enamide

(E)-N,2-dimethyl-N-[(2E,4E)-2-methyl-4-[(Z)-prop-1-enyl]hepta-2,4,6-trienyl]but-2-enamide (PubChem CID 142918916) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is (E)-N,2-dimethyl-N-[(2E,4E)-2-methyl-4-[(Z)-prop-1-enyl]hepta-2,4,6-trienyl]but-2-enamide.

Molecular Properties

Compound Name(E)-N,2-dimethyl-N-[(2E,4E)-2-methyl-4-[(Z)-prop-1-enyl]hepta-2,4,6-trienyl]but-2-enamide
PubChem CID142918916
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC Name(E)-N,2-dimethyl-N-[(2E,4E)-2-methyl-4-[(Z)-prop-1-enyl]hepta-2,4,6-trienyl]but-2-enamide
SMILESC=C/C=C(\C=C/C)/C=C(\C)CN(C)C(=O)/C(C)=C/C
InChIInChI=1S/C17H25NO/c1-7-10-16(11-8-2)12-14(4)13-18(6)17(19)15(5)9-3/h7-12H,1,13H2,2-6H3/b11-8-,14-12+,15-9+,16-10+
InChIKeyYMVKMJQQLXVOHB-NLAWJLBZSA-N
XLogP4.05
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (E)-N,2-dimethyl-N-[(2E,4E)-2-methyl-4-[(Z)-prop-1-enyl]hepta-2,4,6-trienyl]but-2-enamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (E)-N,2-dimethyl-N-[(2E,4E)-2-methyl-4-[(Z)-prop-1-enyl]hepta-2,4,6-trienyl]but-2-enamide?
The IUPAC name of (E)-N,2-dimethyl-N-[(2E,4E)-2-methyl-4-[(Z)-prop-1-enyl]hepta-2,4,6-trienyl]but-2-enamide (CID 142918916) is (E)-N,2-dimethyl-N-[(2E,4E)-2-methyl-4-[(Z)-prop-1-enyl]hepta-2,4,6-trienyl]but-2-enamide.
What is the SMILES notation for (E)-N,2-dimethyl-N-[(2E,4E)-2-methyl-4-[(Z)-prop-1-enyl]hepta-2,4,6-trienyl]but-2-enamide?
The canonical SMILES for (E)-N,2-dimethyl-N-[(2E,4E)-2-methyl-4-[(Z)-prop-1-enyl]hepta-2,4,6-trienyl]but-2-enamide is C=C/C=C(\C=C/C)/C=C(\C)CN(C)C(=O)/C(C)=C/C.
What is the InChIKey of (E)-N,2-dimethyl-N-[(2E,4E)-2-methyl-4-[(Z)-prop-1-enyl]hepta-2,4,6-trienyl]but-2-enamide?
The InChIKey is YMVKMJQQLXVOHB-NLAWJLBZSA-N. The full InChI is InChI=1S/C17H25NO/c1-7-10-16(11-8-2)12-14(4)13-18(6)17(19)15(5)9-3/h7-12H,1,13H2,2-6H3/b11-8-,14-12+,15-9+,16-10+.
What are the key properties of (E)-N,2-dimethyl-N-[(2E,4E)-2-methyl-4-[(Z)-prop-1-enyl]hepta-2,4,6-trienyl]but-2-enamide?
(E)-N,2-dimethyl-N-[(2E,4E)-2-methyl-4-[(Z)-prop-1-enyl]hepta-2,4,6-trienyl]but-2-enamide has a molecular weight of 259.39 g/mol, XLogP of 4.05, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N,2-dimethyl-N-[(2E,4E)-2-methyl-4-[(Z)-prop-1-enyl]hepta-2,4,6-trienyl]but-2-enamide is sourced from PubChem (CID 142918916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).