N-(3-aminophenyl)-5-ethyl-N-propylfuran-2-carboxamide

C16H20N2O2 — CID 79095437

IUPACN-(3-aminophenyl)-5-ethyl-N-propylfuran-2-carboxamide
SMILESCCCN(C(=O)c1ccc(CC)o1)c1cccc(N)c1
InChIInChI=1S/C16H20N2O2/c1-3-10-18(13-7-5-6-12(17)11-13)16(19)15-9-8-14(4-2)20-15/h5-9,11H,3-4,10,17H2,1-2H3
InChIKeyTVDBEVPKJQYBAF-UHFFFAOYSA-N
MW272.35 g/mol
LogP3.48
Rot. Bonds5

About N-(3-aminophenyl)-5-ethyl-N-propylfuran-2-carboxamide

N-(3-aminophenyl)-5-ethyl-N-propylfuran-2-carboxamide (PubChem CID 79095437) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is N-(3-aminophenyl)-5-ethyl-N-propylfuran-2-carboxamide.

Molecular Properties

Compound NameN-(3-aminophenyl)-5-ethyl-N-propylfuran-2-carboxamide
PubChem CID79095437
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC NameN-(3-aminophenyl)-5-ethyl-N-propylfuran-2-carboxamide
SMILESCCCN(C(=O)c1ccc(CC)o1)c1cccc(N)c1
InChIInChI=1S/C16H20N2O2/c1-3-10-18(13-7-5-6-12(17)11-13)16(19)15-9-8-14(4-2)20-15/h5-9,11H,3-4,10,17H2,1-2H3
InChIKeyTVDBEVPKJQYBAF-UHFFFAOYSA-N
XLogP3.48
TPSA59.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 53.48
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-(3-aminophenyl)-5-bromo-N-propylfuran-2-carboxamide
CID 63229640
N-[4-(aminomethyl)phenyl]-5-ethyl-N-propylfuran-2-carboxamide
CID 79095271
N-(3-aminophenyl)-3,5-dibromo-N-propylbenzamide
CID 107971045
N-(3-aminopropyl)-5-ethyl-N-(3-fluorophenyl)furan-2-carboxamide
CID 79095264
N-(3-aminophenyl)-3,5-dichloro-N-propylbenzamide
CID 63230069
N-(3-aminophenyl)-3-iodo-N-propylbenzamide
CID 63229988
N-(3-aminophenyl)-5-chloro-N-ethylfuran-2-carboxamide
CID 106683233
N-(3-aminophenyl)-4-methoxy-N-propylbenzamide
CID 63229900
1-(3-aminophenyl)-3-ethyl-1-propylurea
CID 63230299
N-(3-aminophenyl)-4-bromo-2-hydroxy-N-propylbenzamide
CID 63229866
N-(3-aminophenyl)-3-bromo-5-chloro-N-propylbenzamide
CID 107937520
N-(3-aminophenyl)-4-bromo-3-chloro-N-propylbenzamide
CID 81289017

Frequently Asked Questions

What is the IUPAC name of N-(3-aminophenyl)-5-ethyl-N-propylfuran-2-carboxamide?
The IUPAC name of N-(3-aminophenyl)-5-ethyl-N-propylfuran-2-carboxamide (CID 79095437) is N-(3-aminophenyl)-5-ethyl-N-propylfuran-2-carboxamide.
What is the SMILES notation for N-(3-aminophenyl)-5-ethyl-N-propylfuran-2-carboxamide?
The canonical SMILES for N-(3-aminophenyl)-5-ethyl-N-propylfuran-2-carboxamide is CCCN(C(=O)c1ccc(CC)o1)c1cccc(N)c1.
What is the InChIKey of N-(3-aminophenyl)-5-ethyl-N-propylfuran-2-carboxamide?
The InChIKey is TVDBEVPKJQYBAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-3-10-18(13-7-5-6-12(17)11-13)16(19)15-9-8-14(4-2)20-15/h5-9,11H,3-4,10,17H2,1-2H3.
What are the key properties of N-(3-aminophenyl)-5-ethyl-N-propylfuran-2-carboxamide?
N-(3-aminophenyl)-5-ethyl-N-propylfuran-2-carboxamide has a molecular weight of 272.35 g/mol, XLogP of 3.48, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminophenyl)-5-ethyl-N-propylfuran-2-carboxamide is sourced from PubChem (CID 79095437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).