2-(2-bromo-4,5-diethoxyphenyl)-N-cyclopropyl-N-prop-2-enylacetamide

C18H24BrNO3 — CID 75441137

IUPAC2-(2-bromo-4,5-diethoxyphenyl)-N-cyclopropyl-N-prop-2-enylacetamide
SMILESC=CCN(C(=O)Cc1cc(OCC)c(OCC)cc1Br)C1CC1
InChIInChI=1S/C18H24BrNO3/c1-4-9-20(14-7-8-14)18(21)11-13-10-16(22-5-2)17(23-6-3)12-15(13)19/h4,10,12,14H,1,5-9,11H2,2-3H3
InChIKeyPXOMJFKAKPRSTM-UHFFFAOYSA-N
MW382.30 g/mol
LogP3.97
Rot. Bonds9

About 2-(2-bromo-4,5-diethoxyphenyl)-N-cyclopropyl-N-prop-2-enylacetamide

2-(2-bromo-4,5-diethoxyphenyl)-N-cyclopropyl-N-prop-2-enylacetamide (PubChem CID 75441137) has the molecular formula C18H24BrNO3 and a molecular weight of 382.30 g/mol. Its IUPAC name is 2-(2-bromo-4,5-diethoxyphenyl)-N-cyclopropyl-N-prop-2-enylacetamide.

Molecular Properties

Compound Name2-(2-bromo-4,5-diethoxyphenyl)-N-cyclopropyl-N-prop-2-enylacetamide
PubChem CID75441137
Molecular FormulaC18H24BrNO3
Molecular Weight382.30 g/mol
Exact Mass381.09
IUPAC Name2-(2-bromo-4,5-diethoxyphenyl)-N-cyclopropyl-N-prop-2-enylacetamide
SMILESC=CCN(C(=O)Cc1cc(OCC)c(OCC)cc1Br)C1CC1
InChIInChI=1S/C18H24BrNO3/c1-4-9-20(14-7-8-14)18(21)11-13-10-16(22-5-2)17(23-6-3)12-15(13)19/h4,10,12,14H,1,5-9,11H2,2-3H3
InChIKeyPXOMJFKAKPRSTM-UHFFFAOYSA-N
XLogP3.97
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.30
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4,5-diethoxyphenyl)-N-cyclopropyl-N-prop-2-enylacetamide?
The IUPAC name of 2-(2-bromo-4,5-diethoxyphenyl)-N-cyclopropyl-N-prop-2-enylacetamide (CID 75441137) is 2-(2-bromo-4,5-diethoxyphenyl)-N-cyclopropyl-N-prop-2-enylacetamide.
What is the SMILES notation for 2-(2-bromo-4,5-diethoxyphenyl)-N-cyclopropyl-N-prop-2-enylacetamide?
The canonical SMILES for 2-(2-bromo-4,5-diethoxyphenyl)-N-cyclopropyl-N-prop-2-enylacetamide is C=CCN(C(=O)Cc1cc(OCC)c(OCC)cc1Br)C1CC1.
What is the InChIKey of 2-(2-bromo-4,5-diethoxyphenyl)-N-cyclopropyl-N-prop-2-enylacetamide?
The InChIKey is PXOMJFKAKPRSTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24BrNO3/c1-4-9-20(14-7-8-14)18(21)11-13-10-16(22-5-2)17(23-6-3)12-15(13)19/h4,10,12,14H,1,5-9,11H2,2-3H3.
What are the key properties of 2-(2-bromo-4,5-diethoxyphenyl)-N-cyclopropyl-N-prop-2-enylacetamide?
2-(2-bromo-4,5-diethoxyphenyl)-N-cyclopropyl-N-prop-2-enylacetamide has a molecular weight of 382.30 g/mol, XLogP of 3.97, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4,5-diethoxyphenyl)-N-cyclopropyl-N-prop-2-enylacetamide is sourced from PubChem (CID 75441137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).