N-[(2-aminophenyl)methyl]-N-ethyl-2,5-dimethylfuran-3-carboxamide

C16H20N2O2 — CID 43459243

IUPACN-[(2-aminophenyl)methyl]-N-ethyl-2,5-dimethylfuran-3-carboxamide
SMILESCCN(Cc1ccccc1N)C(=O)c1cc(C)oc1C
InChIInChI=1S/C16H20N2O2/c1-4-18(10-13-7-5-6-8-15(13)17)16(19)14-9-11(2)20-12(14)3/h5-9H,4,10,17H2,1-3H3
InChIKeyZGHCTFNJUPHXGV-UHFFFAOYSA-N
MW272.35 g/mol
LogP3.14
Rot. Bonds4

About N-[(2-aminophenyl)methyl]-N-ethyl-2,5-dimethylfuran-3-carboxamide

N-[(2-aminophenyl)methyl]-N-ethyl-2,5-dimethylfuran-3-carboxamide (PubChem CID 43459243) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is N-[(2-aminophenyl)methyl]-N-ethyl-2,5-dimethylfuran-3-carboxamide.

Molecular Properties

Compound NameN-[(2-aminophenyl)methyl]-N-ethyl-2,5-dimethylfuran-3-carboxamide
PubChem CID43459243
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC NameN-[(2-aminophenyl)methyl]-N-ethyl-2,5-dimethylfuran-3-carboxamide
SMILESCCN(Cc1ccccc1N)C(=O)c1cc(C)oc1C
InChIInChI=1S/C16H20N2O2/c1-4-18(10-13-7-5-6-8-15(13)17)16(19)14-9-11(2)20-12(14)3/h5-9H,4,10,17H2,1-3H3
InChIKeyZGHCTFNJUPHXGV-UHFFFAOYSA-N
XLogP3.14
TPSA59.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(2-aminophenyl)methyl]-N-ethyl-4-methylthiophene-3-carboxamide
CID 79803210
N-[(2-aminophenyl)methyl]-2,4-dichloro-N-ethylbenzamide
CID 43459183
N-(2-aminophenyl)-2,5-dimethyl-N-propylfuran-3-carboxamide
CID 63230482
N-(2-hydroxyethyl)-N-[(2-methoxyphenyl)methyl]-2,5-dimethylfuran-3-carboxamide
CID 110907502
N-[(2-aminophenyl)methyl]-4-bromo-N-ethylbenzamide
CID 43459287
N-[3-(diethylamino)-3-oxopropyl]-N-ethyl-2,5-dimethylfuran-3-carboxamide
CID 3303521
N-(3-aminopropyl)-N-benzyl-2,5-dimethylfuran-3-carboxamide
CID 107366158
N-(4-aminophenyl)-N-ethyl-2,5-dimethylfuran-3-carboxamide
CID 55175946
3-amino-2-chloro-N-[(2-chlorophenyl)methyl]-N-ethylbenzamide
CID 115930313
N-[(2-aminophenyl)methyl]-N-ethyl-2-methylbutanamide
CID 43459253
N-(2-aminoethyl)-2,5-dimethyl-N-(2-phenylethyl)furan-3-carboxamide;hydrochloride
CID 120886169
N-ethyl-2-hydroxy-4-methyl-N-[(2-methylphenyl)methyl]benzamide
CID 112817397

Frequently Asked Questions

What is the IUPAC name of N-[(2-aminophenyl)methyl]-N-ethyl-2,5-dimethylfuran-3-carboxamide?
The IUPAC name of N-[(2-aminophenyl)methyl]-N-ethyl-2,5-dimethylfuran-3-carboxamide (CID 43459243) is N-[(2-aminophenyl)methyl]-N-ethyl-2,5-dimethylfuran-3-carboxamide.
What is the SMILES notation for N-[(2-aminophenyl)methyl]-N-ethyl-2,5-dimethylfuran-3-carboxamide?
The canonical SMILES for N-[(2-aminophenyl)methyl]-N-ethyl-2,5-dimethylfuran-3-carboxamide is CCN(Cc1ccccc1N)C(=O)c1cc(C)oc1C.
What is the InChIKey of N-[(2-aminophenyl)methyl]-N-ethyl-2,5-dimethylfuran-3-carboxamide?
The InChIKey is ZGHCTFNJUPHXGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-4-18(10-13-7-5-6-8-15(13)17)16(19)14-9-11(2)20-12(14)3/h5-9H,4,10,17H2,1-3H3.
What are the key properties of N-[(2-aminophenyl)methyl]-N-ethyl-2,5-dimethylfuran-3-carboxamide?
N-[(2-aminophenyl)methyl]-N-ethyl-2,5-dimethylfuran-3-carboxamide has a molecular weight of 272.35 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-aminophenyl)methyl]-N-ethyl-2,5-dimethylfuran-3-carboxamide is sourced from PubChem (CID 43459243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).