N-(4-aminophenyl)-N-ethyl-2,5-dimethylfuran-3-carboxamide

C15H18N2O2 — CID 55175946

IUPACN-(4-aminophenyl)-N-ethyl-2,5-dimethylfuran-3-carboxamide
SMILESCCN(C(=O)c1cc(C)oc1C)c1ccc(N)cc1
InChIInChI=1S/C15H18N2O2/c1-4-17(13-7-5-12(16)6-8-13)15(18)14-9-10(2)19-11(14)3/h5-9H,4,16H2,1-3H3
InChIKeyHOJILYYEOHKFSO-UHFFFAOYSA-N
MW258.32 g/mol
LogP3.15
Rot. Bonds3

About N-(4-aminophenyl)-N-ethyl-2,5-dimethylfuran-3-carboxamide

N-(4-aminophenyl)-N-ethyl-2,5-dimethylfuran-3-carboxamide (PubChem CID 55175946) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is N-(4-aminophenyl)-N-ethyl-2,5-dimethylfuran-3-carboxamide.

Molecular Properties

Compound NameN-(4-aminophenyl)-N-ethyl-2,5-dimethylfuran-3-carboxamide
PubChem CID55175946
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC NameN-(4-aminophenyl)-N-ethyl-2,5-dimethylfuran-3-carboxamide
SMILESCCN(C(=O)c1cc(C)oc1C)c1ccc(N)cc1
InChIInChI=1S/C15H18N2O2/c1-4-17(13-7-5-12(16)6-8-13)15(18)14-9-10(2)19-11(14)3/h5-9H,4,16H2,1-3H3
InChIKeyHOJILYYEOHKFSO-UHFFFAOYSA-N
XLogP3.15
TPSA59.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(4-aminophenyl)-N-ethyl-2,6-dimethylpyridine-3-carboxamide
CID 63234084
N-(4-aminophenyl)-5-chloro-N-ethyl-2-fluorobenzamide
CID 63230338
N-(2-aminophenyl)-2,5-dimethyl-N-propylfuran-3-carboxamide
CID 63230482
N-(4-aminophenyl)-4-bromo-N-ethyl-2-fluorobenzamide
CID 63230469
N-[2-(4-aminophenyl)-2-hydroxyethyl]-2,5-dimethylfuran-3-carboxamide
CID 43461466
N-[(5-amino-2-chlorophenyl)methyl]-N,2,5-trimethylfuran-3-carboxamide
CID 43549722
N-(4-aminophenyl)-4-bromo-N-ethyl-2-methoxybenzamide
CID 115368567
N-[(2-aminophenyl)methyl]-N-ethyl-2,5-dimethylfuran-3-carboxamide
CID 43459243
N-(4-aminophenyl)-N-ethyl-2-(3-methylphenyl)acetamide
CID 63234126
N-(4-aminophenyl)-3-(dimethylamino)-N-ethylbenzamide
CID 63233645
N-[(3-aminophenyl)methyl]-N,2,5-trimethylfuran-3-carboxamide
CID 43457798
N-(4-aminophenyl)-N-ethyl-2,3-dihydro-1-benzofuran-5-carboxamide
CID 63233821

Frequently Asked Questions

What is the IUPAC name of N-(4-aminophenyl)-N-ethyl-2,5-dimethylfuran-3-carboxamide?
The IUPAC name of N-(4-aminophenyl)-N-ethyl-2,5-dimethylfuran-3-carboxamide (CID 55175946) is N-(4-aminophenyl)-N-ethyl-2,5-dimethylfuran-3-carboxamide.
What is the SMILES notation for N-(4-aminophenyl)-N-ethyl-2,5-dimethylfuran-3-carboxamide?
The canonical SMILES for N-(4-aminophenyl)-N-ethyl-2,5-dimethylfuran-3-carboxamide is CCN(C(=O)c1cc(C)oc1C)c1ccc(N)cc1.
What is the InChIKey of N-(4-aminophenyl)-N-ethyl-2,5-dimethylfuran-3-carboxamide?
The InChIKey is HOJILYYEOHKFSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-4-17(13-7-5-12(16)6-8-13)15(18)14-9-10(2)19-11(14)3/h5-9H,4,16H2,1-3H3.
What are the key properties of N-(4-aminophenyl)-N-ethyl-2,5-dimethylfuran-3-carboxamide?
N-(4-aminophenyl)-N-ethyl-2,5-dimethylfuran-3-carboxamide has a molecular weight of 258.32 g/mol, XLogP of 3.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminophenyl)-N-ethyl-2,5-dimethylfuran-3-carboxamide is sourced from PubChem (CID 55175946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).