N-ethyl-N-hexyl-2-methoxy-3-phenylprop-2-enamide

C18H27NO2 — CID 54258032

IUPACN-ethyl-N-hexyl-2-methoxy-3-phenylprop-2-enamide
SMILESCCCCCCN(CC)C(=O)C(=Cc1ccccc1)OC
InChIInChI=1S/C18H27NO2/c1-4-6-7-11-14-19(5-2)18(20)17(21-3)15-16-12-9-8-10-13-16/h8-10,12-13,15H,4-7,11,14H2,1-3H3
InChIKeyRBLHEISONTYUGP-UHFFFAOYSA-N
MW289.42 g/mol
LogP4.10
Rot. Bonds9

About N-ethyl-N-hexyl-2-methoxy-3-phenylprop-2-enamide

N-ethyl-N-hexyl-2-methoxy-3-phenylprop-2-enamide (PubChem CID 54258032) has the molecular formula C18H27NO2 and a molecular weight of 289.42 g/mol. Its IUPAC name is N-ethyl-N-hexyl-2-methoxy-3-phenylprop-2-enamide.

Molecular Properties

Compound NameN-ethyl-N-hexyl-2-methoxy-3-phenylprop-2-enamide
PubChem CID54258032
Molecular FormulaC18H27NO2
Molecular Weight289.42 g/mol
Exact Mass289.20
IUPAC NameN-ethyl-N-hexyl-2-methoxy-3-phenylprop-2-enamide
SMILESCCCCCCN(CC)C(=O)C(=Cc1ccccc1)OC
InChIInChI=1S/C18H27NO2/c1-4-6-7-11-14-19(5-2)18(20)17(21-3)15-16-12-9-8-10-13-16/h8-10,12-13,15H,4-7,11,14H2,1-3H3
InChIKeyRBLHEISONTYUGP-UHFFFAOYSA-N
XLogP4.10
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-hexyl-2-methoxy-3-phenylprop-2-enamide?
The IUPAC name of N-ethyl-N-hexyl-2-methoxy-3-phenylprop-2-enamide (CID 54258032) is N-ethyl-N-hexyl-2-methoxy-3-phenylprop-2-enamide.
What is the SMILES notation for N-ethyl-N-hexyl-2-methoxy-3-phenylprop-2-enamide?
The canonical SMILES for N-ethyl-N-hexyl-2-methoxy-3-phenylprop-2-enamide is CCCCCCN(CC)C(=O)C(=Cc1ccccc1)OC.
What is the InChIKey of N-ethyl-N-hexyl-2-methoxy-3-phenylprop-2-enamide?
The InChIKey is RBLHEISONTYUGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO2/c1-4-6-7-11-14-19(5-2)18(20)17(21-3)15-16-12-9-8-10-13-16/h8-10,12-13,15H,4-7,11,14H2,1-3H3.
What are the key properties of N-ethyl-N-hexyl-2-methoxy-3-phenylprop-2-enamide?
N-ethyl-N-hexyl-2-methoxy-3-phenylprop-2-enamide has a molecular weight of 289.42 g/mol, XLogP of 4.10, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-hexyl-2-methoxy-3-phenylprop-2-enamide is sourced from PubChem (CID 54258032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).