N-[2-(3-bromophenoxy)ethyl]-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide

C20H22BrNO4 — CID 60549237

IUPACN-[2-(3-bromophenoxy)ethyl]-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide
SMILESC=CCc1ccc(OCC(=O)NCCOc2cccc(Br)c2)c(OC)c1
InChIInChI=1S/C20H22BrNO4/c1-3-5-15-8-9-18(19(12-15)24-2)26-14-20(23)22-10-11-25-17-7-4-6-16(21)13-17/h3-4,6-9,12-13H,1,5,10-11,14H2,2H3,(H,22,23)
InChIKeyVPADJIUYFBBXKX-UHFFFAOYSA-N
MW420.30 g/mol
LogP3.76
Rot. Bonds10

About N-[2-(3-bromophenoxy)ethyl]-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide

N-[2-(3-bromophenoxy)ethyl]-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide (PubChem CID 60549237) has the molecular formula C20H22BrNO4 and a molecular weight of 420.30 g/mol. Its IUPAC name is N-[2-(3-bromophenoxy)ethyl]-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide.

Molecular Properties

Compound NameN-[2-(3-bromophenoxy)ethyl]-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide
PubChem CID60549237
Molecular FormulaC20H22BrNO4
Molecular Weight420.30 g/mol
Exact Mass419.07
IUPAC NameN-[2-(3-bromophenoxy)ethyl]-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide
SMILESC=CCc1ccc(OCC(=O)NCCOc2cccc(Br)c2)c(OC)c1
InChIInChI=1S/C20H22BrNO4/c1-3-5-15-8-9-18(19(12-15)24-2)26-14-20(23)22-10-11-25-17-7-4-6-16(21)13-17/h3-4,6-9,12-13H,1,5,10-11,14H2,2H3,(H,22,23)
InChIKeyVPADJIUYFBBXKX-UHFFFAOYSA-N
XLogP3.76
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.30
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-butyl-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide
CID 78767935
N-[(Z)-(3-bromophenyl)methylideneamino]-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide
CID 6142929
N-[2-(2-methoxy-5-methylphenyl)ethyl]-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide
CID 33105392
2-(2-methoxy-4-prop-2-enylphenoxy)acetohydrazide
CID 764178
N-(2-bromophenyl)-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide
CID 26216414
N-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide
CID 30763943
N-(5-bromo-2-pyridinyl)-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide
CID 78799662
2-(2-methoxy-4-prop-2-enylphenoxy)-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide
CID 18084109
1-[2-(3-bromophenoxy)ethyl]-2-[(3,4-dimethoxyphenyl)methyl]guanidine
CID 111078185
2-(2-methoxy-4-prop-2-enylphenoxy)-N-[(6-methoxy-3-pyridinyl)methyl]acetamide
CID 51305991
2-(3,4-dimethoxyphenyl)-N-[2-(3-ethoxyphenoxy)ethyl]acetamide
CID 113100610
N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide
CID 60551625

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-bromophenoxy)ethyl]-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide?
The IUPAC name of N-[2-(3-bromophenoxy)ethyl]-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide (CID 60549237) is N-[2-(3-bromophenoxy)ethyl]-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide.
What is the SMILES notation for N-[2-(3-bromophenoxy)ethyl]-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide?
The canonical SMILES for N-[2-(3-bromophenoxy)ethyl]-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide is C=CCc1ccc(OCC(=O)NCCOc2cccc(Br)c2)c(OC)c1.
What is the InChIKey of N-[2-(3-bromophenoxy)ethyl]-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide?
The InChIKey is VPADJIUYFBBXKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22BrNO4/c1-3-5-15-8-9-18(19(12-15)24-2)26-14-20(23)22-10-11-25-17-7-4-6-16(21)13-17/h3-4,6-9,12-13H,1,5,10-11,14H2,2H3,(H,22,23).
What are the key properties of N-[2-(3-bromophenoxy)ethyl]-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide?
N-[2-(3-bromophenoxy)ethyl]-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide has a molecular weight of 420.30 g/mol, XLogP of 3.76, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-bromophenoxy)ethyl]-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide is sourced from PubChem (CID 60549237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).