2-[2-bromo-6-ethoxy-4-(hydroxymethyl)phenoxy]-N-(2-methylpropyl)acetamide

C15H22BrNO4 — CID 43627207

IUPAC2-[2-bromo-6-ethoxy-4-(hydroxymethyl)phenoxy]-N-(2-methylpropyl)acetamide
SMILESCCOc1cc(CO)cc(Br)c1OCC(=O)NCC(C)C
InChIInChI=1S/C15H22BrNO4/c1-4-20-13-6-11(8-18)5-12(16)15(13)21-9-14(19)17-7-10(2)3/h5-6,10,18H,4,7-9H2,1-3H3,(H,17,19)
InChIKeyPKABEOFXJZSISY-UHFFFAOYSA-N
MW360.25 g/mol
LogP2.49
Rot. Bonds8

About 2-[2-bromo-6-ethoxy-4-(hydroxymethyl)phenoxy]-N-(2-methylpropyl)acetamide

2-[2-bromo-6-ethoxy-4-(hydroxymethyl)phenoxy]-N-(2-methylpropyl)acetamide (PubChem CID 43627207) has the molecular formula C15H22BrNO4 and a molecular weight of 360.25 g/mol. Its IUPAC name is 2-[2-bromo-6-ethoxy-4-(hydroxymethyl)phenoxy]-N-(2-methylpropyl)acetamide.

Molecular Properties

Compound Name2-[2-bromo-6-ethoxy-4-(hydroxymethyl)phenoxy]-N-(2-methylpropyl)acetamide
PubChem CID43627207
Molecular FormulaC15H22BrNO4
Molecular Weight360.25 g/mol
Exact Mass359.07
IUPAC Name2-[2-bromo-6-ethoxy-4-(hydroxymethyl)phenoxy]-N-(2-methylpropyl)acetamide
SMILESCCOc1cc(CO)cc(Br)c1OCC(=O)NCC(C)C
InChIInChI=1S/C15H22BrNO4/c1-4-20-13-6-11(8-18)5-12(16)15(13)21-9-14(19)17-7-10(2)3/h5-6,10,18H,4,7-9H2,1-3H3,(H,17,19)
InChIKeyPKABEOFXJZSISY-UHFFFAOYSA-N
XLogP2.49
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.25
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[3-bromo-5-ethoxy-4-[2-(2-methylpropoxy)ethoxy]phenyl]methanol
CID 106453726
[2-(2-methylpropylamino)-2-oxoethyl] 3-bromo-5-ethoxy-4-methoxybenzoate
CID 7557938
3-[2-bromo-6-ethoxy-4-(hydroxymethyl)phenoxy]-N-methylpropanamide
CID 62325547
2-[2-bromo-6-ethoxy-4-(hydroxymethyl)phenoxy]-1-morpholin-4-ylethanone
CID 97179321
2-[2-bromo-4-(hydroxymethyl)-6-methoxyphenoxy]-N-prop-2-ynylacetamide
CID 43622673
[2-(2-methylpropylamino)-2-oxoethyl] 3-bromo-4-ethoxy-5-methoxybenzoate
CID 8634730
2-[4-(2-aminoethyl)-2-bromo-6-ethoxyphenoxy]-N-prop-2-ynylacetamide
CID 60906076
2-[4-(aminomethyl)-2-bromophenoxy]-N-(2-methylpropyl)acetamide
CID 55147518
3-(3,4-diethoxyphenyl)-N-(2-methylpropyl)propanamide
CID 92680043
2-[2,6-dibromo-4-(hydroxymethyl)phenoxy]-N-pentan-2-ylacetamide
CID 107738905
(3-bromo-4-butoxy-5-ethoxyphenyl)methanol
CID 43627133
2-[2,6-dibromo-4-(hydroxymethyl)phenoxy]-N-prop-2-ynylacetamide
CID 107738952

Frequently Asked Questions

What is the IUPAC name of 2-[2-bromo-6-ethoxy-4-(hydroxymethyl)phenoxy]-N-(2-methylpropyl)acetamide?
The IUPAC name of 2-[2-bromo-6-ethoxy-4-(hydroxymethyl)phenoxy]-N-(2-methylpropyl)acetamide (CID 43627207) is 2-[2-bromo-6-ethoxy-4-(hydroxymethyl)phenoxy]-N-(2-methylpropyl)acetamide.
What is the SMILES notation for 2-[2-bromo-6-ethoxy-4-(hydroxymethyl)phenoxy]-N-(2-methylpropyl)acetamide?
The canonical SMILES for 2-[2-bromo-6-ethoxy-4-(hydroxymethyl)phenoxy]-N-(2-methylpropyl)acetamide is CCOc1cc(CO)cc(Br)c1OCC(=O)NCC(C)C.
What is the InChIKey of 2-[2-bromo-6-ethoxy-4-(hydroxymethyl)phenoxy]-N-(2-methylpropyl)acetamide?
The InChIKey is PKABEOFXJZSISY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrNO4/c1-4-20-13-6-11(8-18)5-12(16)15(13)21-9-14(19)17-7-10(2)3/h5-6,10,18H,4,7-9H2,1-3H3,(H,17,19).
What are the key properties of 2-[2-bromo-6-ethoxy-4-(hydroxymethyl)phenoxy]-N-(2-methylpropyl)acetamide?
2-[2-bromo-6-ethoxy-4-(hydroxymethyl)phenoxy]-N-(2-methylpropyl)acetamide has a molecular weight of 360.25 g/mol, XLogP of 2.49, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-bromo-6-ethoxy-4-(hydroxymethyl)phenoxy]-N-(2-methylpropyl)acetamide is sourced from PubChem (CID 43627207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).