N'-[4-(furan-2-carbonylamino)-2,5-dimethoxyphenyl]-N-(2-methylphenyl)butanediamide

C24H25N3O6 — CID 644690

IUPACN'-[4-(furan-2-carbonylamino)-2,5-dimethoxyphenyl]-N-(2-methylphenyl)butanediamide
SMILESCOc1cc(NC(=O)c2ccco2)c(OC)cc1NC(=O)CCC(=O)Nc1ccccc1C
InChIInChI=1S/C24H25N3O6/c1-15-7-4-5-8-16(15)25-22(28)10-11-23(29)26-17-13-21(32-3)18(14-20(17)31-2)27-24(30)19-9-6-12-33-19/h4-9,12-14H,10-11H2,1-3H3,(H,25,28)(H,26,29)(H,27,30)
InChIKeyBFLLLYXFKCPRNG-UHFFFAOYSA-N
MW451.48 g/mol
LogP4.21
Rot. Bonds9

About N'-[4-(furan-2-carbonylamino)-2,5-dimethoxyphenyl]-N-(2-methylphenyl)butanediamide

N'-[4-(furan-2-carbonylamino)-2,5-dimethoxyphenyl]-N-(2-methylphenyl)butanediamide (PubChem CID 644690) has the molecular formula C24H25N3O6 and a molecular weight of 451.48 g/mol. Its IUPAC name is N'-[4-(furan-2-carbonylamino)-2,5-dimethoxyphenyl]-N-(2-methylphenyl)butanediamide.

Molecular Properties

Compound NameN'-[4-(furan-2-carbonylamino)-2,5-dimethoxyphenyl]-N-(2-methylphenyl)butanediamide
PubChem CID644690
Molecular FormulaC24H25N3O6
Molecular Weight451.48 g/mol
Exact Mass451.17
IUPAC NameN'-[4-(furan-2-carbonylamino)-2,5-dimethoxyphenyl]-N-(2-methylphenyl)butanediamide
SMILESCOc1cc(NC(=O)c2ccco2)c(OC)cc1NC(=O)CCC(=O)Nc1ccccc1C
InChIInChI=1S/C24H25N3O6/c1-15-7-4-5-8-16(15)25-22(28)10-11-23(29)26-17-13-21(32-3)18(14-20(17)31-2)27-24(30)19-9-6-12-33-19/h4-9,12-14H,10-11H2,1-3H3,(H,25,28)(H,26,29)(H,27,30)
InChIKeyBFLLLYXFKCPRNG-UHFFFAOYSA-N
XLogP4.21
TPSA118.90 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.48
LogP ≤ 54.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N'-[4-(furan-2-carbonylamino)-2,5-dimethoxyphenyl]-N-(2-methylphenyl)butanediamide?
The IUPAC name of N'-[4-(furan-2-carbonylamino)-2,5-dimethoxyphenyl]-N-(2-methylphenyl)butanediamide (CID 644690) is N'-[4-(furan-2-carbonylamino)-2,5-dimethoxyphenyl]-N-(2-methylphenyl)butanediamide.
What is the SMILES notation for N'-[4-(furan-2-carbonylamino)-2,5-dimethoxyphenyl]-N-(2-methylphenyl)butanediamide?
The canonical SMILES for N'-[4-(furan-2-carbonylamino)-2,5-dimethoxyphenyl]-N-(2-methylphenyl)butanediamide is COc1cc(NC(=O)c2ccco2)c(OC)cc1NC(=O)CCC(=O)Nc1ccccc1C.
What is the InChIKey of N'-[4-(furan-2-carbonylamino)-2,5-dimethoxyphenyl]-N-(2-methylphenyl)butanediamide?
The InChIKey is BFLLLYXFKCPRNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O6/c1-15-7-4-5-8-16(15)25-22(28)10-11-23(29)26-17-13-21(32-3)18(14-20(17)31-2)27-24(30)19-9-6-12-33-19/h4-9,12-14H,10-11H2,1-3H3,(H,25,28)(H,26,29)(H,27,30).
What are the key properties of N'-[4-(furan-2-carbonylamino)-2,5-dimethoxyphenyl]-N-(2-methylphenyl)butanediamide?
N'-[4-(furan-2-carbonylamino)-2,5-dimethoxyphenyl]-N-(2-methylphenyl)butanediamide has a molecular weight of 451.48 g/mol, XLogP of 4.21, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-(furan-2-carbonylamino)-2,5-dimethoxyphenyl]-N-(2-methylphenyl)butanediamide is sourced from PubChem (CID 644690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).