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

C19H24BrNO4 — CID 55694184

IUPAC4-bromo-N-[(4-butoxy-3-methoxyphenyl)methyl]-2,5-dimethylfuran-3-carboxamide
SMILESCCCCOc1ccc(CNC(=O)c2c(C)oc(C)c2Br)cc1OC
InChIInChI=1S/C19H24BrNO4/c1-5-6-9-24-15-8-7-14(10-16(15)23-4)11-21-19(22)17-12(2)25-13(3)18(17)20/h7-8,10H,5-6,9,11H2,1-4H3,(H,21,22)
InChIKeyDFVWXBAAOXZJBH-UHFFFAOYSA-N
MW410.31 g/mol
LogP4.78
Rot. Bonds8

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

4-bromo-N-[(4-butoxy-3-methoxyphenyl)methyl]-2,5-dimethylfuran-3-carboxamide (PubChem CID 55694184) has the molecular formula C19H24BrNO4 and a molecular weight of 410.31 g/mol. Its IUPAC name is 4-bromo-N-[(4-butoxy-3-methoxyphenyl)methyl]-2,5-dimethylfuran-3-carboxamide.

Molecular Properties

Compound Name4-bromo-N-[(4-butoxy-3-methoxyphenyl)methyl]-2,5-dimethylfuran-3-carboxamide
PubChem CID55694184
Molecular FormulaC19H24BrNO4
Molecular Weight410.31 g/mol
Exact Mass409.09
IUPAC Name4-bromo-N-[(4-butoxy-3-methoxyphenyl)methyl]-2,5-dimethylfuran-3-carboxamide
SMILESCCCCOc1ccc(CNC(=O)c2c(C)oc(C)c2Br)cc1OC
InChIInChI=1S/C19H24BrNO4/c1-5-6-9-24-15-8-7-14(10-16(15)23-4)11-21-19(22)17-12(2)25-13(3)18(17)20/h7-8,10H,5-6,9,11H2,1-4H3,(H,21,22)
InChIKeyDFVWXBAAOXZJBH-UHFFFAOYSA-N
XLogP4.78
TPSA60.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.31
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-N-[[4-[2-(ethylamino)-2-oxoethoxy]-3-methoxyphenyl]methyl]-2,5-dimethylfuran-3-carboxamide
CID 55745941
2-bromo-N-[(4-butoxy-3-methoxyphenyl)methyl]acetamide
CID 112547109
N-[(4-butoxy-3-methoxyphenyl)methyl]-2-hydroxybenzamide
CID 39971450
N-[(4-butoxy-3-methoxyphenyl)methyl]-2,4-dimethoxybenzamide
CID 39971385
N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-2,4,5-trimethylfuran-3-carboxamide
CID 32889747
N-[(4-butoxy-3-methoxyphenyl)methyl]-2-(2-methylphenyl)acetamide
CID 39971234
5-bromo-2-butoxy-N-[[3-methoxy-4-(3-methylbutoxy)phenyl]methyl]benzamide
CID 54776790
N-[(4-butoxy-3-methoxyphenyl)methyl]-2-(2,4-dimethoxyphenyl)acetamide
CID 39971219
N-[(3-methoxy-4-propoxyphenyl)methyl]-3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide
CID 55635299
4-hexoxy-N-[(3-methoxy-4-propoxyphenyl)methyl]benzamide
CID 54776997
N-[(3-methoxy-4-propoxyphenyl)methyl]-4-propoxybenzamide
CID 54777018
2-amino-N-[(4-butoxy-3-methoxyphenyl)methyl]propanamide;hydrochloride
CID 119284589

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[(4-butoxy-3-methoxyphenyl)methyl]-2,5-dimethylfuran-3-carboxamide?
The IUPAC name of 4-bromo-N-[(4-butoxy-3-methoxyphenyl)methyl]-2,5-dimethylfuran-3-carboxamide (CID 55694184) is 4-bromo-N-[(4-butoxy-3-methoxyphenyl)methyl]-2,5-dimethylfuran-3-carboxamide.
What is the SMILES notation for 4-bromo-N-[(4-butoxy-3-methoxyphenyl)methyl]-2,5-dimethylfuran-3-carboxamide?
The canonical SMILES for 4-bromo-N-[(4-butoxy-3-methoxyphenyl)methyl]-2,5-dimethylfuran-3-carboxamide is CCCCOc1ccc(CNC(=O)c2c(C)oc(C)c2Br)cc1OC.
What is the InChIKey of 4-bromo-N-[(4-butoxy-3-methoxyphenyl)methyl]-2,5-dimethylfuran-3-carboxamide?
The InChIKey is DFVWXBAAOXZJBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24BrNO4/c1-5-6-9-24-15-8-7-14(10-16(15)23-4)11-21-19(22)17-12(2)25-13(3)18(17)20/h7-8,10H,5-6,9,11H2,1-4H3,(H,21,22).
What are the key properties of 4-bromo-N-[(4-butoxy-3-methoxyphenyl)methyl]-2,5-dimethylfuran-3-carboxamide?
4-bromo-N-[(4-butoxy-3-methoxyphenyl)methyl]-2,5-dimethylfuran-3-carboxamide has a molecular weight of 410.31 g/mol, XLogP of 4.78, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[(4-butoxy-3-methoxyphenyl)methyl]-2,5-dimethylfuran-3-carboxamide is sourced from PubChem (CID 55694184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).