N-[4-[2-(dimethylamino)ethoxy]hexa-2,4-dien-3-yl]prop-2-enamide

C13H22N2O2 — CID 91203025

IUPACN-[4-[2-(dimethylamino)ethoxy]hexa-2,4-dien-3-yl]prop-2-enamide
SMILESC=CC(=O)NC(=CC)C(=CC)OCCN(C)C
InChIInChI=1S/C13H22N2O2/c1-6-11(14-13(16)8-3)12(7-2)17-10-9-15(4)5/h6-8H,3,9-10H2,1-2,4-5H3,(H,14,16)
InChIKeyFDYUDNDLOUHCPA-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.67
Rot. Bonds7

About N-[4-[2-(dimethylamino)ethoxy]hexa-2,4-dien-3-yl]prop-2-enamide

N-[4-[2-(dimethylamino)ethoxy]hexa-2,4-dien-3-yl]prop-2-enamide (PubChem CID 91203025) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is N-[4-[2-(dimethylamino)ethoxy]hexa-2,4-dien-3-yl]prop-2-enamide.

Molecular Properties

Compound NameN-[4-[2-(dimethylamino)ethoxy]hexa-2,4-dien-3-yl]prop-2-enamide
PubChem CID91203025
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC NameN-[4-[2-(dimethylamino)ethoxy]hexa-2,4-dien-3-yl]prop-2-enamide
SMILESC=CC(=O)NC(=CC)C(=CC)OCCN(C)C
InChIInChI=1S/C13H22N2O2/c1-6-11(14-13(16)8-3)12(7-2)17-10-9-15(4)5/h6-8H,3,9-10H2,1-2,4-5H3,(H,14,16)
InChIKeyFDYUDNDLOUHCPA-UHFFFAOYSA-N
XLogP1.67
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', '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-[4-[2-(dimethylamino)ethoxy]hexa-2,4-dien-3-yl]prop-2-enamide?
The IUPAC name of N-[4-[2-(dimethylamino)ethoxy]hexa-2,4-dien-3-yl]prop-2-enamide (CID 91203025) is N-[4-[2-(dimethylamino)ethoxy]hexa-2,4-dien-3-yl]prop-2-enamide.
What is the SMILES notation for N-[4-[2-(dimethylamino)ethoxy]hexa-2,4-dien-3-yl]prop-2-enamide?
The canonical SMILES for N-[4-[2-(dimethylamino)ethoxy]hexa-2,4-dien-3-yl]prop-2-enamide is C=CC(=O)NC(=CC)C(=CC)OCCN(C)C.
What is the InChIKey of N-[4-[2-(dimethylamino)ethoxy]hexa-2,4-dien-3-yl]prop-2-enamide?
The InChIKey is FDYUDNDLOUHCPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-6-11(14-13(16)8-3)12(7-2)17-10-9-15(4)5/h6-8H,3,9-10H2,1-2,4-5H3,(H,14,16).
What are the key properties of N-[4-[2-(dimethylamino)ethoxy]hexa-2,4-dien-3-yl]prop-2-enamide?
N-[4-[2-(dimethylamino)ethoxy]hexa-2,4-dien-3-yl]prop-2-enamide has a molecular weight of 238.33 g/mol, XLogP of 1.67, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(dimethylamino)ethoxy]hexa-2,4-dien-3-yl]prop-2-enamide is sourced from PubChem (CID 91203025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).