N-[2-methyl-5-[(2,4,5-trimethoxyphenyl)methylcarbamoyl]phenyl]furan-2-carboxamide

C23H24N2O6 — CID 27843323

IUPACN-[2-methyl-5-[(2,4,5-trimethoxyphenyl)methylcarbamoyl]phenyl]furan-2-carboxamide
SMILESCOc1cc(OC)c(OC)cc1CNC(=O)c1ccc(C)c(NC(=O)c2ccco2)c1
InChIInChI=1S/C23H24N2O6/c1-14-7-8-15(10-17(14)25-23(27)18-6-5-9-31-18)22(26)24-13-16-11-20(29-3)21(30-4)12-19(16)28-2/h5-12H,13H2,1-4H3,(H,24,26)(H,25,27)
InChIKeyBQLNJVPYQDLRHM-UHFFFAOYSA-N
MW424.45 g/mol
LogP3.80
Rot. Bonds8

About N-[2-methyl-5-[(2,4,5-trimethoxyphenyl)methylcarbamoyl]phenyl]furan-2-carboxamide

N-[2-methyl-5-[(2,4,5-trimethoxyphenyl)methylcarbamoyl]phenyl]furan-2-carboxamide (PubChem CID 27843323) has the molecular formula C23H24N2O6 and a molecular weight of 424.45 g/mol. Its IUPAC name is N-[2-methyl-5-[(2,4,5-trimethoxyphenyl)methylcarbamoyl]phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-methyl-5-[(2,4,5-trimethoxyphenyl)methylcarbamoyl]phenyl]furan-2-carboxamide
PubChem CID27843323
Molecular FormulaC23H24N2O6
Molecular Weight424.45 g/mol
Exact Mass424.16
IUPAC NameN-[2-methyl-5-[(2,4,5-trimethoxyphenyl)methylcarbamoyl]phenyl]furan-2-carboxamide
SMILESCOc1cc(OC)c(OC)cc1CNC(=O)c1ccc(C)c(NC(=O)c2ccco2)c1
InChIInChI=1S/C23H24N2O6/c1-14-7-8-15(10-17(14)25-23(27)18-6-5-9-31-18)22(26)24-13-16-11-20(29-3)21(30-4)12-19(16)28-2/h5-12H,13H2,1-4H3,(H,24,26)(H,25,27)
InChIKeyBQLNJVPYQDLRHM-UHFFFAOYSA-N
XLogP3.80
TPSA99.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.45
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[5-[2-(2-methoxy-5-methylphenyl)ethylcarbamoyl]-2-methylphenyl]furan-2-carboxamide
CID 41309194
N-[5-[[2-(ethoxymethyl)phenyl]methylcarbamoyl]-2-methylphenyl]furan-2-carboxamide
CID 37398643
N-[2-methyl-5-[(3-methylphenyl)methylcarbamoyl]phenyl]furan-2-carboxamide
CID 33279792
N-[5-[[(4-ethoxy-3-methoxybenzoyl)amino]carbamoyl]-2-methylphenyl]furan-2-carboxamide
CID 4788258
N-[5-[[2-[(dimethylamino)methyl]phenyl]methylcarbamoyl]-2-methylphenyl]furan-2-carboxamide
CID 41276141
N-[5-[(3-chlorophenyl)methylcarbamoyl]-2-methylphenyl]furan-2-carboxamide
CID 51158750
N-[5-[methoxy(methyl)carbamoyl]-2-methylphenyl]furan-2-carboxamide
CID 51148992
N-[5-[(2-amino-2-methylpropyl)carbamoyl]-2-methylphenyl]furan-2-carboxamide
CID 119625719
N-[5-[[4-(difluoromethoxy)phenyl]methylcarbamoyl]-2-methylphenyl]furan-2-carboxamide
CID 42007354
N-[2-methyl-5-(nonylcarbamoyl)phenyl]furan-2-carboxamide
CID 55555001
N-[2-methyl-5-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methylcarbamoyl]phenyl]furan-2-carboxamide
CID 17482091
N-[5-(3-ethoxypropylcarbamoyl)-2-methylphenyl]furan-2-carboxamide
CID 17475602

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-5-[(2,4,5-trimethoxyphenyl)methylcarbamoyl]phenyl]furan-2-carboxamide?
The IUPAC name of N-[2-methyl-5-[(2,4,5-trimethoxyphenyl)methylcarbamoyl]phenyl]furan-2-carboxamide (CID 27843323) is N-[2-methyl-5-[(2,4,5-trimethoxyphenyl)methylcarbamoyl]phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[2-methyl-5-[(2,4,5-trimethoxyphenyl)methylcarbamoyl]phenyl]furan-2-carboxamide?
The canonical SMILES for N-[2-methyl-5-[(2,4,5-trimethoxyphenyl)methylcarbamoyl]phenyl]furan-2-carboxamide is COc1cc(OC)c(OC)cc1CNC(=O)c1ccc(C)c(NC(=O)c2ccco2)c1.
What is the InChIKey of N-[2-methyl-5-[(2,4,5-trimethoxyphenyl)methylcarbamoyl]phenyl]furan-2-carboxamide?
The InChIKey is BQLNJVPYQDLRHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O6/c1-14-7-8-15(10-17(14)25-23(27)18-6-5-9-31-18)22(26)24-13-16-11-20(29-3)21(30-4)12-19(16)28-2/h5-12H,13H2,1-4H3,(H,24,26)(H,25,27).
What are the key properties of N-[2-methyl-5-[(2,4,5-trimethoxyphenyl)methylcarbamoyl]phenyl]furan-2-carboxamide?
N-[2-methyl-5-[(2,4,5-trimethoxyphenyl)methylcarbamoyl]phenyl]furan-2-carboxamide has a molecular weight of 424.45 g/mol, XLogP of 3.80, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-5-[(2,4,5-trimethoxyphenyl)methylcarbamoyl]phenyl]furan-2-carboxamide is sourced from PubChem (CID 27843323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).