N-[3-amino-4-(diethylamino)phenyl]furan-2-carboxamide

C15H19N3O2 — CID 91676108

IUPACN-[3-amino-4-(diethylamino)phenyl]furan-2-carboxamide
SMILESCCN(CC)c1ccc(NC(=O)c2ccco2)cc1N
InChIInChI=1S/C15H19N3O2/c1-3-18(4-2)13-8-7-11(10-12(13)16)17-15(19)14-6-5-9-20-14/h5-10H,3-4,16H2,1-2H3,(H,17,19)
InChIKeyLWJWMNVTZCFNFM-UHFFFAOYSA-N
MW273.34 g/mol
LogP2.96
Rot. Bonds5

About N-[3-amino-4-(diethylamino)phenyl]furan-2-carboxamide

N-[3-amino-4-(diethylamino)phenyl]furan-2-carboxamide (PubChem CID 91676108) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is N-[3-amino-4-(diethylamino)phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[3-amino-4-(diethylamino)phenyl]furan-2-carboxamide
PubChem CID91676108
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC NameN-[3-amino-4-(diethylamino)phenyl]furan-2-carboxamide
SMILESCCN(CC)c1ccc(NC(=O)c2ccco2)cc1N
InChIInChI=1S/C15H19N3O2/c1-3-18(4-2)13-8-7-11(10-12(13)16)17-15(19)14-6-5-9-20-14/h5-10H,3-4,16H2,1-2H3,(H,17,19)
InChIKeyLWJWMNVTZCFNFM-UHFFFAOYSA-N
XLogP2.96
TPSA71.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-[3-amino-4-(dimethylamino)phenyl]furan-2-carboxamide
CID 91676109
N-[3-amino-4-(diethylamino)phenyl]-4-chlorobenzamide
CID 91676407
N-[4-(furan-2-carbonylamino)phenyl]furan-2-carboxamide
CID 565232
N-(3-ethyl-4-methoxyphenyl)furan-2-carboxamide
CID 110777193
N-[3-[[2-(diethylamino)acetyl]amino]phenyl]furan-2-carboxamide
CID 54813683
N-(3,4-dimethylphenyl)furan-2-carboxamide
CID 689600
N-[3-amino-4-(diethylamino)phenyl]-4-propan-2-yloxybenzamide
CID 91676475
N-[4-(methylamino)phenyl]furan-2-carboxamide
CID 63091259
N-[6-[4-(diethylamino)anilino]pyridazin-3-yl]furan-2-carboxamide
CID 113049661
N-[3-[(4-acetamidophenyl)carbamoyl]phenyl]furan-2-carboxamide
CID 51179863
N-(2,3-dimethylquinoxalin-6-yl)furan-2-carboxamide
CID 3734340
N-[4-(dimethylamino)-3-[[2-ethylbutanoyl(furan-2-ylmethyl)amino]methyl]phenyl]furan-2-carboxamide
CID 42817244

Frequently Asked Questions

What is the IUPAC name of N-[3-amino-4-(diethylamino)phenyl]furan-2-carboxamide?
The IUPAC name of N-[3-amino-4-(diethylamino)phenyl]furan-2-carboxamide (CID 91676108) is N-[3-amino-4-(diethylamino)phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[3-amino-4-(diethylamino)phenyl]furan-2-carboxamide?
The canonical SMILES for N-[3-amino-4-(diethylamino)phenyl]furan-2-carboxamide is CCN(CC)c1ccc(NC(=O)c2ccco2)cc1N.
What is the InChIKey of N-[3-amino-4-(diethylamino)phenyl]furan-2-carboxamide?
The InChIKey is LWJWMNVTZCFNFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-3-18(4-2)13-8-7-11(10-12(13)16)17-15(19)14-6-5-9-20-14/h5-10H,3-4,16H2,1-2H3,(H,17,19).
What are the key properties of N-[3-amino-4-(diethylamino)phenyl]furan-2-carboxamide?
N-[3-amino-4-(diethylamino)phenyl]furan-2-carboxamide has a molecular weight of 273.34 g/mol, XLogP of 2.96, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-amino-4-(diethylamino)phenyl]furan-2-carboxamide is sourced from PubChem (CID 91676108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).