4-bromo-N-[[4-[2-(ethylamino)-2-oxoethoxy]-3-methoxyphenyl]methyl]-2,5-dimethylfuran-3-carboxamide

C19H23BrN2O5 — CID 55745941

IUPAC4-bromo-N-[[4-[2-(ethylamino)-2-oxoethoxy]-3-methoxyphenyl]methyl]-2,5-dimethylfuran-3-carboxamide
SMILESCCNC(=O)COc1ccc(CNC(=O)c2c(C)oc(C)c2Br)cc1OC
InChIInChI=1S/C19H23BrN2O5/c1-5-21-16(23)10-26-14-7-6-13(8-15(14)25-4)9-22-19(24)17-11(2)27-12(3)18(17)20/h6-8H,5,9-10H2,1-4H3,(H,21,23)(H,22,24)
InChIKeyMCLWAODDKMFVHO-UHFFFAOYSA-N
MW439.31 g/mol
LogP3.11
Rot. Bonds8

About 4-bromo-N-[[4-[2-(ethylamino)-2-oxoethoxy]-3-methoxyphenyl]methyl]-2,5-dimethylfuran-3-carboxamide

4-bromo-N-[[4-[2-(ethylamino)-2-oxoethoxy]-3-methoxyphenyl]methyl]-2,5-dimethylfuran-3-carboxamide (PubChem CID 55745941) has the molecular formula C19H23BrN2O5 and a molecular weight of 439.31 g/mol. Its IUPAC name is 4-bromo-N-[[4-[2-(ethylamino)-2-oxoethoxy]-3-methoxyphenyl]methyl]-2,5-dimethylfuran-3-carboxamide.

Molecular Properties

Compound Name4-bromo-N-[[4-[2-(ethylamino)-2-oxoethoxy]-3-methoxyphenyl]methyl]-2,5-dimethylfuran-3-carboxamide
PubChem CID55745941
Molecular FormulaC19H23BrN2O5
Molecular Weight439.31 g/mol
Exact Mass438.08
IUPAC Name4-bromo-N-[[4-[2-(ethylamino)-2-oxoethoxy]-3-methoxyphenyl]methyl]-2,5-dimethylfuran-3-carboxamide
SMILESCCNC(=O)COc1ccc(CNC(=O)c2c(C)oc(C)c2Br)cc1OC
InChIInChI=1S/C19H23BrN2O5/c1-5-21-16(23)10-26-14-7-6-13(8-15(14)25-4)9-22-19(24)17-11(2)27-12(3)18(17)20/h6-8H,5,9-10H2,1-4H3,(H,21,23)(H,22,24)
InChIKeyMCLWAODDKMFVHO-UHFFFAOYSA-N
XLogP3.11
TPSA89.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.31
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-bromo-N-[(4-butoxy-3-methoxyphenyl)methyl]-2,5-dimethylfuran-3-carboxamide
CID 55694184
N-[2-[[4-[2-(ethylamino)-2-oxoethoxy]-3-methoxyphenyl]methylamino]-2-oxoethyl]-2,5-dimethylfuran-3-carboxamide
CID 55912633
N-[[4-[2-(ethylamino)-2-oxoethoxy]-3-methoxyphenyl]methyl]-4,5-dimethyl-2-pyrrol-1-ylthiophene-3-carboxamide
CID 55745887
N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-2,4,5-trimethylfuran-3-carboxamide
CID 32889747
N-[[4-[2-(ethylamino)-2-oxoethoxy]-3-methoxyphenyl]methyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
CID 55745756
N-ethyl-2-[2-methoxy-4-[[(N'-methylcarbamimidoyl)amino]methyl]phenoxy]acetamide;hydroiodide
CID 110915872
ethyl N-[3-[[4-[2-(ethylamino)-2-oxoethoxy]-3-methoxyphenyl]methylamino]-3-oxopropyl]carbamate
CID 55745890
2-[4-[[[(2R)-butan-2-yl]amino]methyl]-2-methoxyphenoxy]-N-ethylacetamide
CID 94458976
N-[(3,4-dimethoxyphenyl)methyl]-2-(2-methoxyphenoxy)acetamide
CID 7928589
5-chloro-N-[[4-[2-(ethylamino)-2-oxoethoxy]-3-methoxyphenyl]methyl]-1-[(4-fluorophenyl)methyl]-3-methylpyrazole-4-carboxamide
CID 55781267
2-[4-[[(N-tert-butyl-N'-methylcarbamimidoyl)amino]methyl]-2-methoxyphenoxy]-N-ethylacetamide;hydroiodide
CID 110964136
ethyl 6-[[4-[2-(ethylamino)-2-oxoethoxy]-3-methoxyphenyl]methylcarbamoyl]-2-methylpyridine-3-carboxylate
CID 55746045

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[[4-[2-(ethylamino)-2-oxoethoxy]-3-methoxyphenyl]methyl]-2,5-dimethylfuran-3-carboxamide?
The IUPAC name of 4-bromo-N-[[4-[2-(ethylamino)-2-oxoethoxy]-3-methoxyphenyl]methyl]-2,5-dimethylfuran-3-carboxamide (CID 55745941) is 4-bromo-N-[[4-[2-(ethylamino)-2-oxoethoxy]-3-methoxyphenyl]methyl]-2,5-dimethylfuran-3-carboxamide.
What is the SMILES notation for 4-bromo-N-[[4-[2-(ethylamino)-2-oxoethoxy]-3-methoxyphenyl]methyl]-2,5-dimethylfuran-3-carboxamide?
The canonical SMILES for 4-bromo-N-[[4-[2-(ethylamino)-2-oxoethoxy]-3-methoxyphenyl]methyl]-2,5-dimethylfuran-3-carboxamide is CCNC(=O)COc1ccc(CNC(=O)c2c(C)oc(C)c2Br)cc1OC.
What is the InChIKey of 4-bromo-N-[[4-[2-(ethylamino)-2-oxoethoxy]-3-methoxyphenyl]methyl]-2,5-dimethylfuran-3-carboxamide?
The InChIKey is MCLWAODDKMFVHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23BrN2O5/c1-5-21-16(23)10-26-14-7-6-13(8-15(14)25-4)9-22-19(24)17-11(2)27-12(3)18(17)20/h6-8H,5,9-10H2,1-4H3,(H,21,23)(H,22,24).
What are the key properties of 4-bromo-N-[[4-[2-(ethylamino)-2-oxoethoxy]-3-methoxyphenyl]methyl]-2,5-dimethylfuran-3-carboxamide?
4-bromo-N-[[4-[2-(ethylamino)-2-oxoethoxy]-3-methoxyphenyl]methyl]-2,5-dimethylfuran-3-carboxamide has a molecular weight of 439.31 g/mol, XLogP of 3.11, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[[4-[2-(ethylamino)-2-oxoethoxy]-3-methoxyphenyl]methyl]-2,5-dimethylfuran-3-carboxamide is sourced from PubChem (CID 55745941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).