N-(4-amino-2-methylbutyl)-2,5-dimethylfuran-3-carboxamide

C12H20N2O2 — CID 66089287

IUPACN-(4-amino-2-methylbutyl)-2,5-dimethylfuran-3-carboxamide
SMILESCc1cc(C(=O)NCC(C)CCN)c(C)o1
InChIInChI=1S/C12H20N2O2/c1-8(4-5-13)7-14-12(15)11-6-9(2)16-10(11)3/h6,8H,4-5,7,13H2,1-3H3,(H,14,15)
InChIKeyAYQMAHJESHOXPE-UHFFFAOYSA-N
MW224.30 g/mol
LogP1.61
Rot. Bonds5

About N-(4-amino-2-methylbutyl)-2,5-dimethylfuran-3-carboxamide

N-(4-amino-2-methylbutyl)-2,5-dimethylfuran-3-carboxamide (PubChem CID 66089287) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is N-(4-amino-2-methylbutyl)-2,5-dimethylfuran-3-carboxamide.

Molecular Properties

Compound NameN-(4-amino-2-methylbutyl)-2,5-dimethylfuran-3-carboxamide
PubChem CID66089287
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC NameN-(4-amino-2-methylbutyl)-2,5-dimethylfuran-3-carboxamide
SMILESCc1cc(C(=O)NCC(C)CCN)c(C)o1
InChIInChI=1S/C12H20N2O2/c1-8(4-5-13)7-14-12(15)11-6-9(2)16-10(11)3/h6,8H,4-5,7,13H2,1-3H3,(H,14,15)
InChIKeyAYQMAHJESHOXPE-UHFFFAOYSA-N
XLogP1.61
TPSA68.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,5-dimethyl-N-[2-methyl-3-(methylamino)propyl]furan-3-carboxamide
CID 81487603
2,5-dimethyl-N-(3-methylbutyl)furan-3-carboxamide
CID 35523982
N-(4-amino-2-methylbutyl)-2,4-dihydroxybenzamide
CID 107726381
N-(4-amino-2-methylbutyl)-2-methylbenzamide
CID 66089966
N-(5-hydroxy-4-methylpentyl)-2,5-dimethylfuran-3-carboxamide
CID 103861683
N-(5-bromo-4-methylpentyl)-2,5-dimethylfuran-3-carboxamide
CID 106157282
N-(3-hydroxy-4,4-dimethylpentyl)-2,5-dimethylfuran-3-carboxamide
CID 71689766
N-(4-amino-2-methylbutyl)-2,3-dimethylbenzamide
CID 66092297
N-[2-(4-aminophenyl)-2-hydroxyethyl]-2,5-dimethylfuran-3-carboxamide
CID 43461466
N-[2-(2-chloroethyl)pentyl]-2,5-dimethylfuran-3-carboxamide
CID 114145694
5-[(2,5-dimethylfuran-3-carbonyl)amino]-2-methylpentanoic acid
CID 104682762
N-(2-chloro-4,4-dimethylpentyl)-2,5-dimethylfuran-3-carboxamide
CID 107156842

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2-methylbutyl)-2,5-dimethylfuran-3-carboxamide?
The IUPAC name of N-(4-amino-2-methylbutyl)-2,5-dimethylfuran-3-carboxamide (CID 66089287) is N-(4-amino-2-methylbutyl)-2,5-dimethylfuran-3-carboxamide.
What is the SMILES notation for N-(4-amino-2-methylbutyl)-2,5-dimethylfuran-3-carboxamide?
The canonical SMILES for N-(4-amino-2-methylbutyl)-2,5-dimethylfuran-3-carboxamide is Cc1cc(C(=O)NCC(C)CCN)c(C)o1.
What is the InChIKey of N-(4-amino-2-methylbutyl)-2,5-dimethylfuran-3-carboxamide?
The InChIKey is AYQMAHJESHOXPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-8(4-5-13)7-14-12(15)11-6-9(2)16-10(11)3/h6,8H,4-5,7,13H2,1-3H3,(H,14,15).
What are the key properties of N-(4-amino-2-methylbutyl)-2,5-dimethylfuran-3-carboxamide?
N-(4-amino-2-methylbutyl)-2,5-dimethylfuran-3-carboxamide has a molecular weight of 224.30 g/mol, XLogP of 1.61, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2-methylbutyl)-2,5-dimethylfuran-3-carboxamide is sourced from PubChem (CID 66089287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).