N-[2-(3-bromophenoxy)ethyl]-2-(4-ethoxyphenyl)acetamide

C18H20BrNO3 — CID 55920744

IUPACN-[2-(3-bromophenoxy)ethyl]-2-(4-ethoxyphenyl)acetamide
SMILESCCOc1ccc(CC(=O)NCCOc2cccc(Br)c2)cc1
InChIInChI=1S/C18H20BrNO3/c1-2-22-16-8-6-14(7-9-16)12-18(21)20-10-11-23-17-5-3-4-15(19)13-17/h3-9,13H,2,10-12H2,1H3,(H,20,21)
InChIKeySPPWFCHBLQYUBS-UHFFFAOYSA-N
MW378.27 g/mol
LogP3.59
Rot. Bonds8

About N-[2-(3-bromophenoxy)ethyl]-2-(4-ethoxyphenyl)acetamide

N-[2-(3-bromophenoxy)ethyl]-2-(4-ethoxyphenyl)acetamide (PubChem CID 55920744) has the molecular formula C18H20BrNO3 and a molecular weight of 378.27 g/mol. Its IUPAC name is N-[2-(3-bromophenoxy)ethyl]-2-(4-ethoxyphenyl)acetamide.

Molecular Properties

Compound NameN-[2-(3-bromophenoxy)ethyl]-2-(4-ethoxyphenyl)acetamide
PubChem CID55920744
Molecular FormulaC18H20BrNO3
Molecular Weight378.27 g/mol
Exact Mass377.06
IUPAC NameN-[2-(3-bromophenoxy)ethyl]-2-(4-ethoxyphenyl)acetamide
SMILESCCOc1ccc(CC(=O)NCCOc2cccc(Br)c2)cc1
InChIInChI=1S/C18H20BrNO3/c1-2-22-16-8-6-14(7-9-16)12-18(21)20-10-11-23-17-5-3-4-15(19)13-17/h3-9,13H,2,10-12H2,1H3,(H,20,21)
InChIKeySPPWFCHBLQYUBS-UHFFFAOYSA-N
XLogP3.59
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.27
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(3-bromophenoxy)ethyl]butanamide
CID 113099626
N-[2-(4-ethoxyphenoxy)ethyl]-2-(3-methylphenyl)acetamide
CID 30350207
N-[2-(3-methoxyphenoxy)ethyl]-2-(4-methoxyphenyl)acetamide
CID 46399940
N-[2-(3-ethoxyphenoxy)ethyl]propanamide
CID 113100561
2-(3,4-dimethoxyphenyl)-N-[2-(3-ethoxyphenoxy)ethyl]acetamide
CID 113100610
2-(4-bromophenyl)-N-[2-(3,4-dimethylphenoxy)ethyl]acetamide
CID 113101041
1-[2-(3-bromophenoxy)ethyl]-3-propylurea
CID 47130861
N-[2-(3-bromophenoxy)ethyl]-4-(methylamino)butanamide;hydrochloride
CID 119746365
1-bromo-3-[2-[2-(4-ethoxyphenoxy)ethoxy]ethoxy]benzene
CID 2899232
N-[2-(4-methylphenoxy)ethyl]-2-(4-methylphenyl)acetamide
CID 40724453
N-[2-(3-ethoxyphenoxy)ethyl]-2-(2-fluorophenyl)acetamide
CID 113100619
2-(2-bromo-4,5-diethoxyphenyl)-N-(2-phenoxyethyl)acetamide
CID 32933896

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-bromophenoxy)ethyl]-2-(4-ethoxyphenyl)acetamide?
The IUPAC name of N-[2-(3-bromophenoxy)ethyl]-2-(4-ethoxyphenyl)acetamide (CID 55920744) is N-[2-(3-bromophenoxy)ethyl]-2-(4-ethoxyphenyl)acetamide.
What is the SMILES notation for N-[2-(3-bromophenoxy)ethyl]-2-(4-ethoxyphenyl)acetamide?
The canonical SMILES for N-[2-(3-bromophenoxy)ethyl]-2-(4-ethoxyphenyl)acetamide is CCOc1ccc(CC(=O)NCCOc2cccc(Br)c2)cc1.
What is the InChIKey of N-[2-(3-bromophenoxy)ethyl]-2-(4-ethoxyphenyl)acetamide?
The InChIKey is SPPWFCHBLQYUBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BrNO3/c1-2-22-16-8-6-14(7-9-16)12-18(21)20-10-11-23-17-5-3-4-15(19)13-17/h3-9,13H,2,10-12H2,1H3,(H,20,21).
What are the key properties of N-[2-(3-bromophenoxy)ethyl]-2-(4-ethoxyphenyl)acetamide?
N-[2-(3-bromophenoxy)ethyl]-2-(4-ethoxyphenyl)acetamide has a molecular weight of 378.27 g/mol, XLogP of 3.59, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-bromophenoxy)ethyl]-2-(4-ethoxyphenyl)acetamide is sourced from PubChem (CID 55920744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).