N-(3-amino-4-methoxyphenyl)-5-methylfuran-2-carboxamide

C13H14N2O3 — CID 43599890

IUPACN-(3-amino-4-methoxyphenyl)-5-methylfuran-2-carboxamide
SMILESCOc1ccc(NC(=O)c2ccc(C)o2)cc1N
InChIInChI=1S/C13H14N2O3/c1-8-3-5-12(18-8)13(16)15-9-4-6-11(17-2)10(14)7-9/h3-7H,14H2,1-2H3,(H,15,16)
InChIKeyLPIZNSBMQOIQQW-UHFFFAOYSA-N
MW246.27 g/mol
LogP2.43
Rot. Bonds3

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

N-(3-amino-4-methoxyphenyl)-5-methylfuran-2-carboxamide (PubChem CID 43599890) has the molecular formula C13H14N2O3 and a molecular weight of 246.27 g/mol. Its IUPAC name is N-(3-amino-4-methoxyphenyl)-5-methylfuran-2-carboxamide.

Molecular Properties

Compound NameN-(3-amino-4-methoxyphenyl)-5-methylfuran-2-carboxamide
PubChem CID43599890
Molecular FormulaC13H14N2O3
Molecular Weight246.27 g/mol
Exact Mass246.10
IUPAC NameN-(3-amino-4-methoxyphenyl)-5-methylfuran-2-carboxamide
SMILESCOc1ccc(NC(=O)c2ccc(C)o2)cc1N
InChIInChI=1S/C13H14N2O3/c1-8-3-5-12(18-8)13(16)15-9-4-6-11(17-2)10(14)7-9/h3-7H,14H2,1-2H3,(H,15,16)
InChIKeyLPIZNSBMQOIQQW-UHFFFAOYSA-N
XLogP2.43
TPSA77.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(4-ethoxy-3-methoxyphenyl)-5-methylfuran-2-carboxamide
CID 17439560
N-(3-amino-4-methoxyphenyl)-5-(4-fluorophenyl)furan-2-carboxamide
CID 91689974
N-(3-amino-4-methoxyphenyl)-5-ethyl-4-methylfuran-2-carboxamide
CID 119419552
N-(3,4-dimethylphenyl)-5-methylfuran-2-carboxamide
CID 844275
N-(3-amino-4-methoxyphenyl)-4-ethylbenzamide
CID 43599944
5-amino-N-(3-chloro-4-methoxyphenyl)furan-2-carboxamide
CID 82344272
N-(4-amino-3-methoxyphenyl)-5-ethylfuran-2-carboxamide
CID 79094156
N-(3-amino-4-methoxyphenyl)-4-hydroxybenzamide
CID 43599919
N-(2-amino-4,5-dimethylphenyl)-5-methylfuran-2-carboxamide
CID 62098426
N-(3-amino-4-methoxyphenyl)-4-tert-butylbenzamide
CID 18524942
N-(3-amino-4-methoxyphenyl)-3,5-dibromobenzamide
CID 107971090
N-(3-amino-4-methoxyphenyl)benzamide;molecular nitrogen
CID 174994775

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-methoxyphenyl)-5-methylfuran-2-carboxamide?
The IUPAC name of N-(3-amino-4-methoxyphenyl)-5-methylfuran-2-carboxamide (CID 43599890) is N-(3-amino-4-methoxyphenyl)-5-methylfuran-2-carboxamide.
What is the SMILES notation for N-(3-amino-4-methoxyphenyl)-5-methylfuran-2-carboxamide?
The canonical SMILES for N-(3-amino-4-methoxyphenyl)-5-methylfuran-2-carboxamide is COc1ccc(NC(=O)c2ccc(C)o2)cc1N.
What is the InChIKey of N-(3-amino-4-methoxyphenyl)-5-methylfuran-2-carboxamide?
The InChIKey is LPIZNSBMQOIQQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3/c1-8-3-5-12(18-8)13(16)15-9-4-6-11(17-2)10(14)7-9/h3-7H,14H2,1-2H3,(H,15,16).
What are the key properties of N-(3-amino-4-methoxyphenyl)-5-methylfuran-2-carboxamide?
N-(3-amino-4-methoxyphenyl)-5-methylfuran-2-carboxamide has a molecular weight of 246.27 g/mol, XLogP of 2.43, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-methoxyphenyl)-5-methylfuran-2-carboxamide is sourced from PubChem (CID 43599890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).