N-tert-butyl-5-butylfuran-2-carboxamide

C13H21NO2 — CID 70989839

IUPACN-tert-butyl-5-butylfuran-2-carboxamide
SMILESCCCCc1ccc(C(=O)NC(C)(C)C)o1
InChIInChI=1S/C13H21NO2/c1-5-6-7-10-8-9-11(16-10)12(15)14-13(2,3)4/h8-9H,5-7H2,1-4H3,(H,14,15)
InChIKeyFLKCBTAGVJUUET-UHFFFAOYSA-N
MW223.32 g/mol
LogP3.15
Rot. Bonds4

About N-tert-butyl-5-butylfuran-2-carboxamide

N-tert-butyl-5-butylfuran-2-carboxamide (PubChem CID 70989839) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is N-tert-butyl-5-butylfuran-2-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-5-butylfuran-2-carboxamide
PubChem CID70989839
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC NameN-tert-butyl-5-butylfuran-2-carboxamide
SMILESCCCCc1ccc(C(=O)NC(C)(C)C)o1
InChIInChI=1S/C13H21NO2/c1-5-6-7-10-8-9-11(16-10)12(15)14-13(2,3)4/h8-9H,5-7H2,1-4H3,(H,14,15)
InChIKeyFLKCBTAGVJUUET-UHFFFAOYSA-N
XLogP3.15
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-tert-butyl-5-butylfuran-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-hexylfuran-2-carboxylic acid
CID 86015959
5-pentadecylfuran-2-carboxylic acid
CID 177129672
5-(aminomethyl)-N-(3-methylpentan-3-yl)furan-2-carboxamide
CID 103811384
N-tert-butyl-5-[(4-chlorophenoxy)methyl]furan-2-carboxamide
CID 717019
N-(2-cyanobutan-2-yl)-5-ethylfuran-2-carboxamide
CID 78989486
N-tert-butyl-2-(4-heptylphenyl)acetamide
CID 161404255
2-[[5-(difluoromethylsulfanylmethyl)furan-2-carbonyl]amino]-2-methylpentanoic acid
CID 43618801
N-tert-butyl-5-[[5-chloro-2-(2-methylpropoxy)phenyl]methyl]furan-2-carboxamide
CID 15605115
5-ethyl-N-methylfuran-2-carboxamide
CID 60751451
5-(aminomethyl)-N-octylfuran-2-carboxamide
CID 115567865
5-(aminomethyl)-N-(2-cyclopropylpropan-2-yl)furan-2-carboxamide
CID 103809618
N-(3-hydroxy-2-methylbutan-2-yl)-5-(methylsulfanylmethyl)furan-2-carboxamide
CID 113372208

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-5-butylfuran-2-carboxamide?
The IUPAC name of N-tert-butyl-5-butylfuran-2-carboxamide (CID 70989839) is N-tert-butyl-5-butylfuran-2-carboxamide.
What is the SMILES notation for N-tert-butyl-5-butylfuran-2-carboxamide?
The canonical SMILES for N-tert-butyl-5-butylfuran-2-carboxamide is CCCCc1ccc(C(=O)NC(C)(C)C)o1.
What is the InChIKey of N-tert-butyl-5-butylfuran-2-carboxamide?
The InChIKey is FLKCBTAGVJUUET-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c1-5-6-7-10-8-9-11(16-10)12(15)14-13(2,3)4/h8-9H,5-7H2,1-4H3,(H,14,15).
What are the key properties of N-tert-butyl-5-butylfuran-2-carboxamide?
N-tert-butyl-5-butylfuran-2-carboxamide has a molecular weight of 223.32 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-5-butylfuran-2-carboxamide is sourced from PubChem (CID 70989839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).