4-(2-amino-2-oxoethoxy)-N-[2-(3-bromophenoxy)ethyl]-3,5-dimethoxybenzamide

C19H21BrN2O6 — CID 55919848

IUPAC4-(2-amino-2-oxoethoxy)-N-[2-(3-bromophenoxy)ethyl]-3,5-dimethoxybenzamide
SMILESCOc1cc(C(=O)NCCOc2cccc(Br)c2)cc(OC)c1OCC(N)=O
InChIInChI=1S/C19H21BrN2O6/c1-25-15-8-12(9-16(26-2)18(15)28-11-17(21)23)19(24)22-6-7-27-14-5-3-4-13(20)10-14/h3-5,8-10H,6-7,11H2,1-2H3,(H2,21,23)(H,22,24)
InChIKeyWQWWLOIZXMACSI-UHFFFAOYSA-N
MW453.29 g/mol
LogP2.14
Rot. Bonds10

About 4-(2-amino-2-oxoethoxy)-N-[2-(3-bromophenoxy)ethyl]-3,5-dimethoxybenzamide

4-(2-amino-2-oxoethoxy)-N-[2-(3-bromophenoxy)ethyl]-3,5-dimethoxybenzamide (PubChem CID 55919848) has the molecular formula C19H21BrN2O6 and a molecular weight of 453.29 g/mol. Its IUPAC name is 4-(2-amino-2-oxoethoxy)-N-[2-(3-bromophenoxy)ethyl]-3,5-dimethoxybenzamide.

Molecular Properties

Compound Name4-(2-amino-2-oxoethoxy)-N-[2-(3-bromophenoxy)ethyl]-3,5-dimethoxybenzamide
PubChem CID55919848
Molecular FormulaC19H21BrN2O6
Molecular Weight453.29 g/mol
Exact Mass452.06
IUPAC Name4-(2-amino-2-oxoethoxy)-N-[2-(3-bromophenoxy)ethyl]-3,5-dimethoxybenzamide
SMILESCOc1cc(C(=O)NCCOc2cccc(Br)c2)cc(OC)c1OCC(N)=O
InChIInChI=1S/C19H21BrN2O6/c1-25-15-8-12(9-16(26-2)18(15)28-11-17(21)23)19(24)22-6-7-27-14-5-3-4-13(20)10-14/h3-5,8-10H,6-7,11H2,1-2H3,(H2,21,23)(H,22,24)
InChIKeyWQWWLOIZXMACSI-UHFFFAOYSA-N
XLogP2.14
TPSA109.11 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.29
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 4-(2-amino-2-oxoethoxy)-N-[2-(3-bromophenoxy)ethyl]-3,5-dimethoxybenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(3-bromophenoxy)ethyl]-3,5-dimethoxybenzamide
CID 113099639
4-(2-amino-2-oxoethoxy)-3-chloro-N-[2-(2,6-dimethylphenoxy)ethyl]-5-methoxybenzamide
CID 55724832
N-[2-(3-bromophenoxy)ethyl]-4-methoxy-3-(methylsulfamoyl)benzamide
CID 55975758
3-bromo-4-ethoxy-5-methoxy-N-(2-phenoxyethyl)benzamide
CID 26903200
3-bromo-N-[2-(4-methoxyphenoxy)ethyl]benzamide
CID 27173443
4-bromo-3,5-dimethoxy-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]benzamide
CID 55803408
3,4,5-trimethoxy-N-[2-[2-(3-methoxyphenoxy)ethylamino]-2-oxoethyl]benzamide
CID 46423426
methyl 4-[2-(3-bromophenoxy)ethoxy]-3-methoxybenzoate
CID 7694604
3,4-dimethoxy-N-[2-(3-phenoxyphenoxy)ethyl]benzamide
CID 4065417
N-[2-(3-ethoxyphenoxy)ethyl]-3,5-dimethoxybenzamide
CID 113100586
4-bromo-N-[3-[2-(3-bromophenoxy)ethylamino]-3-oxopropyl]benzamide
CID 60549507
3-bromo-5-methyl-N-[2-(3-methylphenoxy)ethyl]benzamide
CID 104852569

Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-2-oxoethoxy)-N-[2-(3-bromophenoxy)ethyl]-3,5-dimethoxybenzamide?
The IUPAC name of 4-(2-amino-2-oxoethoxy)-N-[2-(3-bromophenoxy)ethyl]-3,5-dimethoxybenzamide (CID 55919848) is 4-(2-amino-2-oxoethoxy)-N-[2-(3-bromophenoxy)ethyl]-3,5-dimethoxybenzamide.
What is the SMILES notation for 4-(2-amino-2-oxoethoxy)-N-[2-(3-bromophenoxy)ethyl]-3,5-dimethoxybenzamide?
The canonical SMILES for 4-(2-amino-2-oxoethoxy)-N-[2-(3-bromophenoxy)ethyl]-3,5-dimethoxybenzamide is COc1cc(C(=O)NCCOc2cccc(Br)c2)cc(OC)c1OCC(N)=O.
What is the InChIKey of 4-(2-amino-2-oxoethoxy)-N-[2-(3-bromophenoxy)ethyl]-3,5-dimethoxybenzamide?
The InChIKey is WQWWLOIZXMACSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21BrN2O6/c1-25-15-8-12(9-16(26-2)18(15)28-11-17(21)23)19(24)22-6-7-27-14-5-3-4-13(20)10-14/h3-5,8-10H,6-7,11H2,1-2H3,(H2,21,23)(H,22,24).
What are the key properties of 4-(2-amino-2-oxoethoxy)-N-[2-(3-bromophenoxy)ethyl]-3,5-dimethoxybenzamide?
4-(2-amino-2-oxoethoxy)-N-[2-(3-bromophenoxy)ethyl]-3,5-dimethoxybenzamide has a molecular weight of 453.29 g/mol, XLogP of 2.14, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-2-oxoethoxy)-N-[2-(3-bromophenoxy)ethyl]-3,5-dimethoxybenzamide is sourced from PubChem (CID 55919848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).