N-(furan-2-ylmethyl)-2-[3-(3,4,5-trimethoxyphenyl)propanoylamino]benzamide

C24H26N2O6 — CID 34646854

IUPACN-(furan-2-ylmethyl)-2-[3-(3,4,5-trimethoxyphenyl)propanoylamino]benzamide
SMILESCOc1cc(CCC(=O)Nc2ccccc2C(=O)NCc2ccco2)cc(OC)c1OC
InChIInChI=1S/C24H26N2O6/c1-29-20-13-16(14-21(30-2)23(20)31-3)10-11-22(27)26-19-9-5-4-8-18(19)24(28)25-15-17-7-6-12-32-17/h4-9,12-14H,10-11,15H2,1-3H3,(H,25,28)(H,26,27)
InChIKeyFEFBHTNUCLXYOL-UHFFFAOYSA-N
MW438.48 g/mol
LogP3.81
Rot. Bonds10

About N-(furan-2-ylmethyl)-2-[3-(3,4,5-trimethoxyphenyl)propanoylamino]benzamide

N-(furan-2-ylmethyl)-2-[3-(3,4,5-trimethoxyphenyl)propanoylamino]benzamide (PubChem CID 34646854) has the molecular formula C24H26N2O6 and a molecular weight of 438.48 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-[3-(3,4,5-trimethoxyphenyl)propanoylamino]benzamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-[3-(3,4,5-trimethoxyphenyl)propanoylamino]benzamide
PubChem CID34646854
Molecular FormulaC24H26N2O6
Molecular Weight438.48 g/mol
Exact Mass438.18
IUPAC NameN-(furan-2-ylmethyl)-2-[3-(3,4,5-trimethoxyphenyl)propanoylamino]benzamide
SMILESCOc1cc(CCC(=O)Nc2ccccc2C(=O)NCc2ccco2)cc(OC)c1OC
InChIInChI=1S/C24H26N2O6/c1-29-20-13-16(14-21(30-2)23(20)31-3)10-11-22(27)26-19-9-5-4-8-18(19)24(28)25-15-17-7-6-12-32-17/h4-9,12-14H,10-11,15H2,1-3H3,(H,25,28)(H,26,27)
InChIKeyFEFBHTNUCLXYOL-UHFFFAOYSA-N
XLogP3.81
TPSA99.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.48
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(furan-2-ylmethyl)-2-[3-(4-methoxyphenyl)propanoylamino]benzamide
CID 51188549
N-(furan-2-ylmethyl)-2-[3-(2-methoxyphenyl)propanoylamino]benzamide
CID 51283919
2-methoxyethyl 4-[2-(furan-2-ylmethylcarbamoyl)anilino]-4-oxobutanoate
CID 17339123
N,N'-bis[2-(furan-2-ylmethylcarbamoyl)phenyl]hexanediamide
CID 4938791
N-(2-aminophenyl)-3-(3,4,5-trimethoxyphenyl)propanamide;hydrochloride
CID 119422110
N-(furan-2-ylmethyl)-2-(heptanoylamino)benzamide
CID 36859009
1-(furan-2-ylmethyl)-3-[2-(3,4,5-trimethoxyphenyl)ethyl]urea
CID 113217080
N-(furan-2-ylmethyl)-2-[[2-(3-methoxyphenoxy)acetyl]amino]benzamide
CID 94878119
N-(furan-2-ylmethyl)-2-[3-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)propanoylamino]benzamide
CID 100774905
2-[(2-bromoacetyl)amino]-N-(furan-2-ylmethyl)benzamide
CID 112547104
2-[4-(4-chlorophenyl)butanoylamino]-N-(furan-2-ylmethyl)benzamide
CID 55772978
N-(2-fluorophenyl)-3-(3,4,5-trimethoxyphenyl)propanamide
CID 2710290

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-[3-(3,4,5-trimethoxyphenyl)propanoylamino]benzamide?
The IUPAC name of N-(furan-2-ylmethyl)-2-[3-(3,4,5-trimethoxyphenyl)propanoylamino]benzamide (CID 34646854) is N-(furan-2-ylmethyl)-2-[3-(3,4,5-trimethoxyphenyl)propanoylamino]benzamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-[3-(3,4,5-trimethoxyphenyl)propanoylamino]benzamide?
The canonical SMILES for N-(furan-2-ylmethyl)-2-[3-(3,4,5-trimethoxyphenyl)propanoylamino]benzamide is COc1cc(CCC(=O)Nc2ccccc2C(=O)NCc2ccco2)cc(OC)c1OC.
What is the InChIKey of N-(furan-2-ylmethyl)-2-[3-(3,4,5-trimethoxyphenyl)propanoylamino]benzamide?
The InChIKey is FEFBHTNUCLXYOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O6/c1-29-20-13-16(14-21(30-2)23(20)31-3)10-11-22(27)26-19-9-5-4-8-18(19)24(28)25-15-17-7-6-12-32-17/h4-9,12-14H,10-11,15H2,1-3H3,(H,25,28)(H,26,27).
What are the key properties of N-(furan-2-ylmethyl)-2-[3-(3,4,5-trimethoxyphenyl)propanoylamino]benzamide?
N-(furan-2-ylmethyl)-2-[3-(3,4,5-trimethoxyphenyl)propanoylamino]benzamide has a molecular weight of 438.48 g/mol, XLogP of 3.81, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2-[3-(3,4,5-trimethoxyphenyl)propanoylamino]benzamide is sourced from PubChem (CID 34646854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).