N-(2-amino-4,5-dimethoxyphenyl)-2-methylfuran-3-carboxamide

C14H16N2O4 — CID 43549154

IUPACN-(2-amino-4,5-dimethoxyphenyl)-2-methylfuran-3-carboxamide
SMILESCOc1cc(N)c(NC(=O)c2ccoc2C)cc1OC
InChIInChI=1S/C14H16N2O4/c1-8-9(4-5-20-8)14(17)16-11-7-13(19-3)12(18-2)6-10(11)15/h4-7H,15H2,1-3H3,(H,16,17)
InChIKeyXGXAMMAVUGDRFW-UHFFFAOYSA-N
MW276.29 g/mol
LogP2.44
Rot. Bonds4

About N-(2-amino-4,5-dimethoxyphenyl)-2-methylfuran-3-carboxamide

N-(2-amino-4,5-dimethoxyphenyl)-2-methylfuran-3-carboxamide (PubChem CID 43549154) has the molecular formula C14H16N2O4 and a molecular weight of 276.29 g/mol. Its IUPAC name is N-(2-amino-4,5-dimethoxyphenyl)-2-methylfuran-3-carboxamide.

Molecular Properties

Compound NameN-(2-amino-4,5-dimethoxyphenyl)-2-methylfuran-3-carboxamide
PubChem CID43549154
Molecular FormulaC14H16N2O4
Molecular Weight276.29 g/mol
Exact Mass276.11
IUPAC NameN-(2-amino-4,5-dimethoxyphenyl)-2-methylfuran-3-carboxamide
SMILESCOc1cc(N)c(NC(=O)c2ccoc2C)cc1OC
InChIInChI=1S/C14H16N2O4/c1-8-9(4-5-20-8)14(17)16-11-7-13(19-3)12(18-2)6-10(11)15/h4-7H,15H2,1-3H3,(H,16,17)
InChIKeyXGXAMMAVUGDRFW-UHFFFAOYSA-N
XLogP2.44
TPSA86.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(4-amino-2-methoxyphenyl)-2-methylfuran-3-carboxamide
CID 16773170
N-(2-amino-4,5-dimethoxyphenyl)-4-methylthiophene-3-carboxamide
CID 79802132
N-(2-amino-4,5-dimethoxyphenyl)-2-iodobenzamide
CID 43549160
N-(2-methoxy-5-nitrophenyl)-2-methylfuran-3-carboxamide
CID 844979
N-(2-amino-4,5-dimethoxyphenyl)-2-methylpyridine-4-carboxamide
CID 106752394
N-(2-amino-4,5-dimethoxyphenyl)-5-methylthiophene-2-carboxamide
CID 43549139
N-(4-amino-2-bromophenyl)-2-methylfuran-3-carboxamide
CID 43549570
methyl N-(2-amino-4,5-dimethoxyphenyl)carbamate
CID 43551388
2-amino-4,5-dimethoxy-N-(2-methylphenyl)benzamide
CID 14127147
N-[3-(methanesulfonamido)-4-methoxyphenyl]-2-methylfuran-3-carboxamide
CID 134019111
N-[4-amino-2-(trifluoromethyl)phenyl]-2-methylfuran-3-carboxamide
CID 43548408
N-[2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]-2-methylfuran-3-carboxamide
CID 24588243

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4,5-dimethoxyphenyl)-2-methylfuran-3-carboxamide?
The IUPAC name of N-(2-amino-4,5-dimethoxyphenyl)-2-methylfuran-3-carboxamide (CID 43549154) is N-(2-amino-4,5-dimethoxyphenyl)-2-methylfuran-3-carboxamide.
What is the SMILES notation for N-(2-amino-4,5-dimethoxyphenyl)-2-methylfuran-3-carboxamide?
The canonical SMILES for N-(2-amino-4,5-dimethoxyphenyl)-2-methylfuran-3-carboxamide is COc1cc(N)c(NC(=O)c2ccoc2C)cc1OC.
What is the InChIKey of N-(2-amino-4,5-dimethoxyphenyl)-2-methylfuran-3-carboxamide?
The InChIKey is XGXAMMAVUGDRFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O4/c1-8-9(4-5-20-8)14(17)16-11-7-13(19-3)12(18-2)6-10(11)15/h4-7H,15H2,1-3H3,(H,16,17).
What are the key properties of N-(2-amino-4,5-dimethoxyphenyl)-2-methylfuran-3-carboxamide?
N-(2-amino-4,5-dimethoxyphenyl)-2-methylfuran-3-carboxamide has a molecular weight of 276.29 g/mol, XLogP of 2.44, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4,5-dimethoxyphenyl)-2-methylfuran-3-carboxamide is sourced from PubChem (CID 43549154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).