2-(2-bromo-4,5-diethoxyphenyl)-N-cyclopentyl-N-(furan-2-ylmethyl)acetamide

C22H28BrNO4 — CID 55587746

IUPAC2-(2-bromo-4,5-diethoxyphenyl)-N-cyclopentyl-N-(furan-2-ylmethyl)acetamide
SMILESCCOc1cc(Br)c(CC(=O)N(Cc2ccco2)C2CCCC2)cc1OCC
InChIInChI=1S/C22H28BrNO4/c1-3-26-20-12-16(19(23)14-21(20)27-4-2)13-22(25)24(17-8-5-6-9-17)15-18-10-7-11-28-18/h7,10-12,14,17H,3-6,8-9,13,15H2,1-2H3
InChIKeyQBNLUXKKHOREJO-UHFFFAOYSA-N
MW450.37 g/mol
LogP5.35
Rot. Bonds9

About 2-(2-bromo-4,5-diethoxyphenyl)-N-cyclopentyl-N-(furan-2-ylmethyl)acetamide

2-(2-bromo-4,5-diethoxyphenyl)-N-cyclopentyl-N-(furan-2-ylmethyl)acetamide (PubChem CID 55587746) has the molecular formula C22H28BrNO4 and a molecular weight of 450.37 g/mol. Its IUPAC name is 2-(2-bromo-4,5-diethoxyphenyl)-N-cyclopentyl-N-(furan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(2-bromo-4,5-diethoxyphenyl)-N-cyclopentyl-N-(furan-2-ylmethyl)acetamide
PubChem CID55587746
Molecular FormulaC22H28BrNO4
Molecular Weight450.37 g/mol
Exact Mass449.12
IUPAC Name2-(2-bromo-4,5-diethoxyphenyl)-N-cyclopentyl-N-(furan-2-ylmethyl)acetamide
SMILESCCOc1cc(Br)c(CC(=O)N(Cc2ccco2)C2CCCC2)cc1OCC
InChIInChI=1S/C22H28BrNO4/c1-3-26-20-12-16(19(23)14-21(20)27-4-2)13-22(25)24(17-8-5-6-9-17)15-18-10-7-11-28-18/h7,10-12,14,17H,3-6,8-9,13,15H2,1-2H3
InChIKeyQBNLUXKKHOREJO-UHFFFAOYSA-N
XLogP5.35
TPSA51.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.37
LogP ≤ 55.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-bromo-4,5-diethoxyphenyl)-N-(furan-2-ylmethyl)acetamide
CID 51204584
3-amino-N-cyclopentyl-N-(furan-2-ylmethyl)butanamide
CID 54871048
N-[(3S)-1,1-dioxothiolan-3-yl]-2-(2-ethoxyphenoxy)-N-(furan-2-ylmethyl)acetamide
CID 40953097
N-cyclopentyl-N-(furan-2-ylmethyl)-2-methoxy-2-methylpropanamide
CID 103028787
(2R)-N-cyclopentyl-N-(furan-2-ylmethyl)piperidine-2-carboxamide
CID 104913327
2-(2-aminophenoxy)-N-cyclopropyl-N-(furan-2-ylmethyl)acetamide
CID 61107416
N-cyclopentyl-N-(furan-2-ylmethyl)-2-(4-pyrazol-1-ylphenyl)acetamide
CID 86998215
5-bromo-N-cyclopentyl-N-(furan-2-ylmethyl)furan-2-carboxamide
CID 60738196
5-amino-N-cyclopentyl-N-(furan-2-ylmethyl)-4-methylpentanamide
CID 82012609
2-bromo-N-cyclopentyl-N-(furan-2-ylmethyl)pyridine-3-carboxamide
CID 103754840
N-cyclopentyl-N-(furan-2-ylmethyl)-2-methylpiperidine-4-carboxamide
CID 106739346
5-bromo-N-cyclopentyl-N-(furan-2-ylmethyl)-2-hydroxybenzamide
CID 112817353

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4,5-diethoxyphenyl)-N-cyclopentyl-N-(furan-2-ylmethyl)acetamide?
The IUPAC name of 2-(2-bromo-4,5-diethoxyphenyl)-N-cyclopentyl-N-(furan-2-ylmethyl)acetamide (CID 55587746) is 2-(2-bromo-4,5-diethoxyphenyl)-N-cyclopentyl-N-(furan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(2-bromo-4,5-diethoxyphenyl)-N-cyclopentyl-N-(furan-2-ylmethyl)acetamide?
The canonical SMILES for 2-(2-bromo-4,5-diethoxyphenyl)-N-cyclopentyl-N-(furan-2-ylmethyl)acetamide is CCOc1cc(Br)c(CC(=O)N(Cc2ccco2)C2CCCC2)cc1OCC.
What is the InChIKey of 2-(2-bromo-4,5-diethoxyphenyl)-N-cyclopentyl-N-(furan-2-ylmethyl)acetamide?
The InChIKey is QBNLUXKKHOREJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28BrNO4/c1-3-26-20-12-16(19(23)14-21(20)27-4-2)13-22(25)24(17-8-5-6-9-17)15-18-10-7-11-28-18/h7,10-12,14,17H,3-6,8-9,13,15H2,1-2H3.
What are the key properties of 2-(2-bromo-4,5-diethoxyphenyl)-N-cyclopentyl-N-(furan-2-ylmethyl)acetamide?
2-(2-bromo-4,5-diethoxyphenyl)-N-cyclopentyl-N-(furan-2-ylmethyl)acetamide has a molecular weight of 450.37 g/mol, XLogP of 5.35, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4,5-diethoxyphenyl)-N-cyclopentyl-N-(furan-2-ylmethyl)acetamide is sourced from PubChem (CID 55587746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).