N-(2-anilino-3-methylbutyl)furan-3-carboxamide

C16H20N2O2 — CID 47142406

IUPACN-(2-anilino-3-methylbutyl)furan-3-carboxamide
SMILESCC(C)C(CNC(=O)c1ccoc1)Nc1ccccc1
InChIInChI=1S/C16H20N2O2/c1-12(2)15(18-14-6-4-3-5-7-14)10-17-16(19)13-8-9-20-11-13/h3-9,11-12,15,18H,10H2,1-2H3,(H,17,19)
InChIKeyRQFIQEFGKBVMHG-UHFFFAOYSA-N
MW272.35 g/mol
LogP3.15
Rot. Bonds6

About N-(2-anilino-3-methylbutyl)furan-3-carboxamide

N-(2-anilino-3-methylbutyl)furan-3-carboxamide (PubChem CID 47142406) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is N-(2-anilino-3-methylbutyl)furan-3-carboxamide.

Molecular Properties

Compound NameN-(2-anilino-3-methylbutyl)furan-3-carboxamide
PubChem CID47142406
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC NameN-(2-anilino-3-methylbutyl)furan-3-carboxamide
SMILESCC(C)C(CNC(=O)c1ccoc1)Nc1ccccc1
InChIInChI=1S/C16H20N2O2/c1-12(2)15(18-14-6-4-3-5-7-14)10-17-16(19)13-8-9-20-11-13/h3-9,11-12,15,18H,10H2,1-2H3,(H,17,19)
InChIKeyRQFIQEFGKBVMHG-UHFFFAOYSA-N
XLogP3.15
TPSA54.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2S)-2-anilino-3-methylbutyl]-1,3-dihydro-2-benzofuran-5-carboxamide
CID 95055102
N-[2-(methylamino)propyl]furan-3-carboxamide
CID 103512728
3-(furan-3-carbonylamino)-2-phenylpropanoic acid
CID 62883834
N-(2-anilino-3-methylbutyl)-4-(butan-2-ylsulfamoyl)benzamide
CID 55535044
N-(4-hydroxy-2-methylpentyl)furan-3-carboxamide
CID 111447081
N-(2-bromo-4-methylpentyl)furan-3-carboxamide
CID 107157639
N-(2-benzyl-3-hydroxy-2-methylbutyl)furan-3-carboxamide
CID 102562916
N-[(2S,3S)-2-benzyl-3-hydroxy-2-methylbutyl]furan-3-carboxamide
CID 99795548
N-[(2S)-4-oxo-4-phenylbutan-2-yl]furan-3-carboxamide
CID 97086513
N-(3-amino-3-hydroxyimino-2-methylpropyl)furan-3-carboxamide
CID 76952612
N-(2-anilino-3-methylbutyl)-4-[(1-methylimidazol-2-yl)methoxy]benzamide
CID 55793957
N-(2-anilino-3-methylbutyl)-1-(2-fluorophenyl)pyrazole-3-carboxamide
CID 55651671

Frequently Asked Questions

What is the IUPAC name of N-(2-anilino-3-methylbutyl)furan-3-carboxamide?
The IUPAC name of N-(2-anilino-3-methylbutyl)furan-3-carboxamide (CID 47142406) is N-(2-anilino-3-methylbutyl)furan-3-carboxamide.
What is the SMILES notation for N-(2-anilino-3-methylbutyl)furan-3-carboxamide?
The canonical SMILES for N-(2-anilino-3-methylbutyl)furan-3-carboxamide is CC(C)C(CNC(=O)c1ccoc1)Nc1ccccc1.
What is the InChIKey of N-(2-anilino-3-methylbutyl)furan-3-carboxamide?
The InChIKey is RQFIQEFGKBVMHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-12(2)15(18-14-6-4-3-5-7-14)10-17-16(19)13-8-9-20-11-13/h3-9,11-12,15,18H,10H2,1-2H3,(H,17,19).
What are the key properties of N-(2-anilino-3-methylbutyl)furan-3-carboxamide?
N-(2-anilino-3-methylbutyl)furan-3-carboxamide has a molecular weight of 272.35 g/mol, XLogP of 3.15, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-anilino-3-methylbutyl)furan-3-carboxamide is sourced from PubChem (CID 47142406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).