N-(1-amino-4-methylpentan-3-yl)-3-methylfuran-2-carboxamide

C12H20N2O2 — CID 106356722

IUPACN-(1-amino-4-methylpentan-3-yl)-3-methylfuran-2-carboxamide
SMILESCc1ccoc1C(=O)NC(CCN)C(C)C
InChIInChI=1S/C12H20N2O2/c1-8(2)10(4-6-13)14-12(15)11-9(3)5-7-16-11/h5,7-8,10H,4,6,13H2,1-3H3,(H,14,15)
InChIKeyOSXKPFFSOFEMRN-UHFFFAOYSA-N
MW224.30 g/mol
LogP1.69
Rot. Bonds5

About N-(1-amino-4-methylpentan-3-yl)-3-methylfuran-2-carboxamide

N-(1-amino-4-methylpentan-3-yl)-3-methylfuran-2-carboxamide (PubChem CID 106356722) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is N-(1-amino-4-methylpentan-3-yl)-3-methylfuran-2-carboxamide.

Molecular Properties

Compound NameN-(1-amino-4-methylpentan-3-yl)-3-methylfuran-2-carboxamide
PubChem CID106356722
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC NameN-(1-amino-4-methylpentan-3-yl)-3-methylfuran-2-carboxamide
SMILESCc1ccoc1C(=O)NC(CCN)C(C)C
InChIInChI=1S/C12H20N2O2/c1-8(2)10(4-6-13)14-12(15)11-9(3)5-7-16-11/h5,7-8,10H,4,6,13H2,1-3H3,(H,14,15)
InChIKeyOSXKPFFSOFEMRN-UHFFFAOYSA-N
XLogP1.69
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 ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-hydroxy-3-methylbutan-2-yl)-3-methylfuran-2-carboxamide
CID 79252738
N-(1-cyanoethyl)-3-methylfuran-2-carboxamide
CID 61121242
N-(1-amino-4-methylpentan-3-yl)-4-fluoro-3-methylbenzamide
CID 106356719
N-(1-hydroxy-4-methylpentan-2-yl)-3-methylfuran-2-carboxamide
CID 61247341
N-(1-amino-2,3-dimethylbutan-2-yl)-3-methylfuran-2-carboxamide
CID 81485681
N-(4-aminobutyl)-3-methylfuran-2-carboxamide
CID 60895762
N-(1-amino-3-phenylpropan-2-yl)-3-methylfuran-2-carboxamide
CID 63753408
N-(1-amino-4-methylpentan-3-yl)-4-ethylbenzamide
CID 106356762
N-(1-amino-4-methylpentan-3-yl)-2,4,5-trimethylfuran-3-carboxamide
CID 106356736
2-[(3-methylfuran-2-carbonyl)amino]-3-sulfanylpropanoic acid
CID 16776859
N-(1-amino-4-methylpentan-3-yl)-2,6-dimethylpyridine-3-carboxamide
CID 114178127
N-(1-amino-4-methylpentan-3-yl)-4-oxo-1H-pyridine-3-carboxamide
CID 114178138

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-4-methylpentan-3-yl)-3-methylfuran-2-carboxamide?
The IUPAC name of N-(1-amino-4-methylpentan-3-yl)-3-methylfuran-2-carboxamide (CID 106356722) is N-(1-amino-4-methylpentan-3-yl)-3-methylfuran-2-carboxamide.
What is the SMILES notation for N-(1-amino-4-methylpentan-3-yl)-3-methylfuran-2-carboxamide?
The canonical SMILES for N-(1-amino-4-methylpentan-3-yl)-3-methylfuran-2-carboxamide is Cc1ccoc1C(=O)NC(CCN)C(C)C.
What is the InChIKey of N-(1-amino-4-methylpentan-3-yl)-3-methylfuran-2-carboxamide?
The InChIKey is OSXKPFFSOFEMRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-8(2)10(4-6-13)14-12(15)11-9(3)5-7-16-11/h5,7-8,10H,4,6,13H2,1-3H3,(H,14,15).
What are the key properties of N-(1-amino-4-methylpentan-3-yl)-3-methylfuran-2-carboxamide?
N-(1-amino-4-methylpentan-3-yl)-3-methylfuran-2-carboxamide has a molecular weight of 224.30 g/mol, XLogP of 1.69, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-4-methylpentan-3-yl)-3-methylfuran-2-carboxamide is sourced from PubChem (CID 106356722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).