N,N-diethyl-5-methyl-3-prop-2-enoxyhepta-2,4,6-trienamide

C15H23NO2 — CID 123671654

IUPACN,N-diethyl-5-methyl-3-prop-2-enoxyhepta-2,4,6-trienamide
SMILESC=CCOC(C=C(C)C=C)=CC(=O)N(CC)CC
InChIInChI=1S/C15H23NO2/c1-6-10-18-14(11-13(5)7-2)12-15(17)16(8-3)9-4/h6-7,11-12H,1-2,8-10H2,3-5H3
InChIKeyUYNAUFUZQBOGNU-UHFFFAOYSA-N
MW249.35 g/mol
LogP3.07
Rot. Bonds8

About N,N-diethyl-5-methyl-3-prop-2-enoxyhepta-2,4,6-trienamide

N,N-diethyl-5-methyl-3-prop-2-enoxyhepta-2,4,6-trienamide (PubChem CID 123671654) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is N,N-diethyl-5-methyl-3-prop-2-enoxyhepta-2,4,6-trienamide.

Molecular Properties

Compound NameN,N-diethyl-5-methyl-3-prop-2-enoxyhepta-2,4,6-trienamide
PubChem CID123671654
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC NameN,N-diethyl-5-methyl-3-prop-2-enoxyhepta-2,4,6-trienamide
SMILESC=CCOC(C=C(C)C=C)=CC(=O)N(CC)CC
InChIInChI=1S/C15H23NO2/c1-6-10-18-14(11-13(5)7-2)12-15(17)16(8-3)9-4/h6-7,11-12H,1-2,8-10H2,3-5H3
InChIKeyUYNAUFUZQBOGNU-UHFFFAOYSA-N
XLogP3.07
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', '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 N,N-diethyl-5-methyl-3-prop-2-enoxyhepta-2,4,6-trienamide?
The IUPAC name of N,N-diethyl-5-methyl-3-prop-2-enoxyhepta-2,4,6-trienamide (CID 123671654) is N,N-diethyl-5-methyl-3-prop-2-enoxyhepta-2,4,6-trienamide.
What is the SMILES notation for N,N-diethyl-5-methyl-3-prop-2-enoxyhepta-2,4,6-trienamide?
The canonical SMILES for N,N-diethyl-5-methyl-3-prop-2-enoxyhepta-2,4,6-trienamide is C=CCOC(C=C(C)C=C)=CC(=O)N(CC)CC.
What is the InChIKey of N,N-diethyl-5-methyl-3-prop-2-enoxyhepta-2,4,6-trienamide?
The InChIKey is UYNAUFUZQBOGNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-6-10-18-14(11-13(5)7-2)12-15(17)16(8-3)9-4/h6-7,11-12H,1-2,8-10H2,3-5H3.
What are the key properties of N,N-diethyl-5-methyl-3-prop-2-enoxyhepta-2,4,6-trienamide?
N,N-diethyl-5-methyl-3-prop-2-enoxyhepta-2,4,6-trienamide has a molecular weight of 249.35 g/mol, XLogP of 3.07, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-5-methyl-3-prop-2-enoxyhepta-2,4,6-trienamide is sourced from PubChem (CID 123671654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).