2-[[5-(4-bromophenyl)furan-2-yl]methyl-methylamino]-N-(2-morpholin-4-ylphenyl)acetamide

C24H26BrN3O3 — CID 17474507

IUPAC2-[[5-(4-bromophenyl)furan-2-yl]methyl-methylamino]-N-(2-morpholin-4-ylphenyl)acetamide
SMILESCN(CC(=O)Nc1ccccc1N1CCOCC1)Cc1ccc(-c2ccc(Br)cc2)o1
InChIInChI=1S/C24H26BrN3O3/c1-27(16-20-10-11-23(31-20)18-6-8-19(25)9-7-18)17-24(29)26-21-4-2-3-5-22(21)28-12-14-30-15-13-28/h2-11H,12-17H2,1H3,(H,26,29)
InChIKeyBJPFJACYYAMWDU-UHFFFAOYSA-N
MW484.39 g/mol
LogP4.62
Rot. Bonds7

About 2-[[5-(4-bromophenyl)furan-2-yl]methyl-methylamino]-N-(2-morpholin-4-ylphenyl)acetamide

2-[[5-(4-bromophenyl)furan-2-yl]methyl-methylamino]-N-(2-morpholin-4-ylphenyl)acetamide (PubChem CID 17474507) has the molecular formula C24H26BrN3O3 and a molecular weight of 484.39 g/mol. Its IUPAC name is 2-[[5-(4-bromophenyl)furan-2-yl]methyl-methylamino]-N-(2-morpholin-4-ylphenyl)acetamide.

Molecular Properties

Compound Name2-[[5-(4-bromophenyl)furan-2-yl]methyl-methylamino]-N-(2-morpholin-4-ylphenyl)acetamide
PubChem CID17474507
Molecular FormulaC24H26BrN3O3
Molecular Weight484.39 g/mol
Exact Mass483.12
IUPAC Name2-[[5-(4-bromophenyl)furan-2-yl]methyl-methylamino]-N-(2-morpholin-4-ylphenyl)acetamide
SMILESCN(CC(=O)Nc1ccccc1N1CCOCC1)Cc1ccc(-c2ccc(Br)cc2)o1
InChIInChI=1S/C24H26BrN3O3/c1-27(16-20-10-11-23(31-20)18-6-8-19(25)9-7-18)17-24(29)26-21-4-2-3-5-22(21)28-12-14-30-15-13-28/h2-11H,12-17H2,1H3,(H,26,29)
InChIKeyBJPFJACYYAMWDU-UHFFFAOYSA-N
XLogP4.62
TPSA57.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.39
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[5-(4-bromophenyl)furan-2-yl]methyl-methylamino]-N-(2-methylpropyl)acetamide
CID 9296694
2-[cyclohexylmethyl(methyl)amino]-N-(2-morpholin-4-ylphenyl)acetamide
CID 46570974
2-[[5-(4-bromophenyl)furan-2-yl]methyl-methylamino]acetic acid
CID 43386061
2-[acetyl(propan-2-yl)amino]-N-(2-morpholin-4-ylphenyl)acetamide
CID 113158255
2-bromo-N-(2-morpholin-4-ylphenyl)acetamide
CID 60650852
N-(2-morpholin-4-ylphenyl)-3-oxobutanamide
CID 18071535
2-[acetyl(butan-2-yl)amino]-N-(2-morpholin-4-ylphenyl)acetamide
CID 113159164
N-(3-methoxyphenyl)-2-[methyl-[2-(2-morpholin-4-ylanilino)-2-oxoethyl]amino]acetamide
CID 4965762
N-(2-ethoxyphenyl)-2-[methyl-[(2-morpholin-4-ylphenyl)methyl]amino]acetamide
CID 26381318
2-[acetyl(propyl)amino]-N-(2-morpholin-4-ylphenyl)acetamide
CID 113158058
2-[acetyl(cyclohexyl)amino]-N-(2-morpholin-4-ylphenyl)acetamide
CID 113159561
2-[[2-(2-bromoanilino)-2-oxoethyl]-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 24681289

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(4-bromophenyl)furan-2-yl]methyl-methylamino]-N-(2-morpholin-4-ylphenyl)acetamide?
The IUPAC name of 2-[[5-(4-bromophenyl)furan-2-yl]methyl-methylamino]-N-(2-morpholin-4-ylphenyl)acetamide (CID 17474507) is 2-[[5-(4-bromophenyl)furan-2-yl]methyl-methylamino]-N-(2-morpholin-4-ylphenyl)acetamide.
What is the SMILES notation for 2-[[5-(4-bromophenyl)furan-2-yl]methyl-methylamino]-N-(2-morpholin-4-ylphenyl)acetamide?
The canonical SMILES for 2-[[5-(4-bromophenyl)furan-2-yl]methyl-methylamino]-N-(2-morpholin-4-ylphenyl)acetamide is CN(CC(=O)Nc1ccccc1N1CCOCC1)Cc1ccc(-c2ccc(Br)cc2)o1.
What is the InChIKey of 2-[[5-(4-bromophenyl)furan-2-yl]methyl-methylamino]-N-(2-morpholin-4-ylphenyl)acetamide?
The InChIKey is BJPFJACYYAMWDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26BrN3O3/c1-27(16-20-10-11-23(31-20)18-6-8-19(25)9-7-18)17-24(29)26-21-4-2-3-5-22(21)28-12-14-30-15-13-28/h2-11H,12-17H2,1H3,(H,26,29).
What are the key properties of 2-[[5-(4-bromophenyl)furan-2-yl]methyl-methylamino]-N-(2-morpholin-4-ylphenyl)acetamide?
2-[[5-(4-bromophenyl)furan-2-yl]methyl-methylamino]-N-(2-morpholin-4-ylphenyl)acetamide has a molecular weight of 484.39 g/mol, XLogP of 4.62, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(4-bromophenyl)furan-2-yl]methyl-methylamino]-N-(2-morpholin-4-ylphenyl)acetamide is sourced from PubChem (CID 17474507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).