N-[4-(furan-2-ylmethylcarbamoyl)phenyl]-3,4,5-trimethoxybenzamide

C22H22N2O6 — CID 28638324

IUPACN-[4-(furan-2-ylmethylcarbamoyl)phenyl]-3,4,5-trimethoxybenzamide
SMILESCOc1cc(C(=O)Nc2ccc(C(=O)NCc3ccco3)cc2)cc(OC)c1OC
InChIInChI=1S/C22H22N2O6/c1-27-18-11-15(12-19(28-2)20(18)29-3)22(26)24-16-8-6-14(7-9-16)21(25)23-13-17-5-4-10-30-17/h4-12H,13H2,1-3H3,(H,23,25)(H,24,26)
InChIKeyQKIYDUQUEDKSNK-UHFFFAOYSA-N
MW410.43 g/mol
LogP3.49
Rot. Bonds8

About N-[4-(furan-2-ylmethylcarbamoyl)phenyl]-3,4,5-trimethoxybenzamide

N-[4-(furan-2-ylmethylcarbamoyl)phenyl]-3,4,5-trimethoxybenzamide (PubChem CID 28638324) has the molecular formula C22H22N2O6 and a molecular weight of 410.43 g/mol. Its IUPAC name is N-[4-(furan-2-ylmethylcarbamoyl)phenyl]-3,4,5-trimethoxybenzamide.

Molecular Properties

Compound NameN-[4-(furan-2-ylmethylcarbamoyl)phenyl]-3,4,5-trimethoxybenzamide
PubChem CID28638324
Molecular FormulaC22H22N2O6
Molecular Weight410.43 g/mol
Exact Mass410.15
IUPAC NameN-[4-(furan-2-ylmethylcarbamoyl)phenyl]-3,4,5-trimethoxybenzamide
SMILESCOc1cc(C(=O)Nc2ccc(C(=O)NCc3ccco3)cc2)cc(OC)c1OC
InChIInChI=1S/C22H22N2O6/c1-27-18-11-15(12-19(28-2)20(18)29-3)22(26)24-16-8-6-14(7-9-16)21(25)23-13-17-5-4-10-30-17/h4-12H,13H2,1-3H3,(H,23,25)(H,24,26)
InChIKeyQKIYDUQUEDKSNK-UHFFFAOYSA-N
XLogP3.49
TPSA99.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.43
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(furan-2-ylmethylcarbamoylamino)phenyl]-3-methoxy-4-methylbenzamide
CID 35338148
N-(furan-2-ylmethylcarbamothioyl)-3,4,5-trimethoxybenzamide
CID 1248224
1-N-(furan-2-ylmethyl)-4-N-phenylbenzene-1,4-dicarboxamide
CID 109046573
4-N-(2,5-dimethoxyphenyl)-1-N-(furan-2-ylmethyl)benzene-1,4-dicarboxamide
CID 109046619
N-[4-(furan-2-ylmethylcarbamoyl)phenyl]furan-2-carboxamide
CID 976453
methyl 4-[[5-(furan-2-ylmethylcarbamoyl)pyridine-3-carbonyl]amino]benzoate
CID 109104940
3-ethoxy-N-(furan-2-ylmethyl)-4-methoxybenzamide
CID 35808851
4-N-[4-(diethylamino)phenyl]-1-N-(furan-2-ylmethyl)benzene-1,4-dicarboxamide
CID 109046633
2-(furan-2-ylmethylamino)-N-(3,4,5-trimethoxyphenyl)pyridine-4-carboxamide
CID 109169400
3-N-(4-acetamidophenyl)-1-N-(furan-2-ylmethyl)benzene-1,3-dicarboxamide
CID 109054046
4-N-(furan-2-ylmethyl)-2-N-(4-methoxyphenyl)pyridine-2,4-dicarboxamide
CID 109085096
3-chloro-N-[[3-(furan-2-ylmethylcarbamoyl)phenyl]methyl]-4,5-dimethoxybenzamide
CID 55876373

Frequently Asked Questions

What is the IUPAC name of N-[4-(furan-2-ylmethylcarbamoyl)phenyl]-3,4,5-trimethoxybenzamide?
The IUPAC name of N-[4-(furan-2-ylmethylcarbamoyl)phenyl]-3,4,5-trimethoxybenzamide (CID 28638324) is N-[4-(furan-2-ylmethylcarbamoyl)phenyl]-3,4,5-trimethoxybenzamide.
What is the SMILES notation for N-[4-(furan-2-ylmethylcarbamoyl)phenyl]-3,4,5-trimethoxybenzamide?
The canonical SMILES for N-[4-(furan-2-ylmethylcarbamoyl)phenyl]-3,4,5-trimethoxybenzamide is COc1cc(C(=O)Nc2ccc(C(=O)NCc3ccco3)cc2)cc(OC)c1OC.
What is the InChIKey of N-[4-(furan-2-ylmethylcarbamoyl)phenyl]-3,4,5-trimethoxybenzamide?
The InChIKey is QKIYDUQUEDKSNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O6/c1-27-18-11-15(12-19(28-2)20(18)29-3)22(26)24-16-8-6-14(7-9-16)21(25)23-13-17-5-4-10-30-17/h4-12H,13H2,1-3H3,(H,23,25)(H,24,26).
What are the key properties of N-[4-(furan-2-ylmethylcarbamoyl)phenyl]-3,4,5-trimethoxybenzamide?
N-[4-(furan-2-ylmethylcarbamoyl)phenyl]-3,4,5-trimethoxybenzamide has a molecular weight of 410.43 g/mol, XLogP of 3.49, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(furan-2-ylmethylcarbamoyl)phenyl]-3,4,5-trimethoxybenzamide is sourced from PubChem (CID 28638324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).