2-(2-bromo-4-methylphenoxy)-N-(2-hydroxyethyl)-N-propylacetamide

C14H20BrNO3 — CID 60682396

IUPAC2-(2-bromo-4-methylphenoxy)-N-(2-hydroxyethyl)-N-propylacetamide
SMILESCCCN(CCO)C(=O)COc1ccc(C)cc1Br
InChIInChI=1S/C14H20BrNO3/c1-3-6-16(7-8-17)14(18)10-19-13-5-4-11(2)9-12(13)15/h4-5,9,17H,3,6-8,10H2,1-2H3
InChIKeyKPCUCWOSFDMQIG-UHFFFAOYSA-N
MW330.22 g/mol
LogP2.37
Rot. Bonds7

About 2-(2-bromo-4-methylphenoxy)-N-(2-hydroxyethyl)-N-propylacetamide

2-(2-bromo-4-methylphenoxy)-N-(2-hydroxyethyl)-N-propylacetamide (PubChem CID 60682396) has the molecular formula C14H20BrNO3 and a molecular weight of 330.22 g/mol. Its IUPAC name is 2-(2-bromo-4-methylphenoxy)-N-(2-hydroxyethyl)-N-propylacetamide.

Molecular Properties

Compound Name2-(2-bromo-4-methylphenoxy)-N-(2-hydroxyethyl)-N-propylacetamide
PubChem CID60682396
Molecular FormulaC14H20BrNO3
Molecular Weight330.22 g/mol
Exact Mass329.06
IUPAC Name2-(2-bromo-4-methylphenoxy)-N-(2-hydroxyethyl)-N-propylacetamide
SMILESCCCN(CCO)C(=O)COc1ccc(C)cc1Br
InChIInChI=1S/C14H20BrNO3/c1-3-6-16(7-8-17)14(18)10-19-13-5-4-11(2)9-12(13)15/h4-5,9,17H,3,6-8,10H2,1-2H3
InChIKeyKPCUCWOSFDMQIG-UHFFFAOYSA-N
XLogP2.37
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.22
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-bromo-4-methylphenoxy)-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)acetamide
CID 107483037
2-(2,4-dibromophenoxy)-N,N-bis(2-hydroxyethyl)acetamide
CID 60655130
2-[2-(dipropylamino)-2-oxoethoxy]-5-methylbenzoic acid
CID 61379859
2-(2-bromo-4-fluorophenoxy)-N,N-bis(2-hydroxyethyl)acetamide
CID 60653739
2-(2-bromo-4-methylphenoxy)-N,N-bis(2-methylpropyl)acetamide
CID 19169501
2-(2,4-dibromophenoxy)-N-(2-hydroxyethyl)-N-(2-methoxyethyl)acetamide
CID 115902198
2-(2,5-dichlorophenoxy)-N-(2-hydroxyethyl)-N-propylacetamide
CID 60703186
2-(2-bromo-4-methylphenoxy)-N,N-di(propan-2-yl)acetamide
CID 965418
2-[2-(dipropylamino)-2-oxoethoxy]-4-methylbenzoic acid
CID 61379186
1-(2-bromo-4-methylphenoxy)butan-2-one
CID 62040640
2-(2-bromo-4-methylphenoxy)-N'-[2-(2-bromo-4-methylphenoxy)acetyl]acetohydrazide
CID 5089524
methyl 3-[[2-(2-bromo-4-methylphenoxy)acetyl]-methylamino]propanoate
CID 61031824

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-methylphenoxy)-N-(2-hydroxyethyl)-N-propylacetamide?
The IUPAC name of 2-(2-bromo-4-methylphenoxy)-N-(2-hydroxyethyl)-N-propylacetamide (CID 60682396) is 2-(2-bromo-4-methylphenoxy)-N-(2-hydroxyethyl)-N-propylacetamide.
What is the SMILES notation for 2-(2-bromo-4-methylphenoxy)-N-(2-hydroxyethyl)-N-propylacetamide?
The canonical SMILES for 2-(2-bromo-4-methylphenoxy)-N-(2-hydroxyethyl)-N-propylacetamide is CCCN(CCO)C(=O)COc1ccc(C)cc1Br.
What is the InChIKey of 2-(2-bromo-4-methylphenoxy)-N-(2-hydroxyethyl)-N-propylacetamide?
The InChIKey is KPCUCWOSFDMQIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrNO3/c1-3-6-16(7-8-17)14(18)10-19-13-5-4-11(2)9-12(13)15/h4-5,9,17H,3,6-8,10H2,1-2H3.
What are the key properties of 2-(2-bromo-4-methylphenoxy)-N-(2-hydroxyethyl)-N-propylacetamide?
2-(2-bromo-4-methylphenoxy)-N-(2-hydroxyethyl)-N-propylacetamide has a molecular weight of 330.22 g/mol, XLogP of 2.37, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-methylphenoxy)-N-(2-hydroxyethyl)-N-propylacetamide is sourced from PubChem (CID 60682396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).