N-(2-ethyl-2-hydroxybutyl)-5-methylfuran-3-carboxamide

C12H19NO3 — CID 114821770

IUPACN-(2-ethyl-2-hydroxybutyl)-5-methylfuran-3-carboxamide
SMILESCCC(O)(CC)CNC(=O)c1coc(C)c1
InChIInChI=1S/C12H19NO3/c1-4-12(15,5-2)8-13-11(14)10-6-9(3)16-7-10/h6-7,15H,4-5,8H2,1-3H3,(H,13,14)
InChIKeyBXMZQJGPNWQRGO-UHFFFAOYSA-N
MW225.29 g/mol
LogP1.87
Rot. Bonds5

About N-(2-ethyl-2-hydroxybutyl)-5-methylfuran-3-carboxamide

N-(2-ethyl-2-hydroxybutyl)-5-methylfuran-3-carboxamide (PubChem CID 114821770) has the molecular formula C12H19NO3 and a molecular weight of 225.29 g/mol. Its IUPAC name is N-(2-ethyl-2-hydroxybutyl)-5-methylfuran-3-carboxamide.

Molecular Properties

Compound NameN-(2-ethyl-2-hydroxybutyl)-5-methylfuran-3-carboxamide
PubChem CID114821770
Molecular FormulaC12H19NO3
Molecular Weight225.29 g/mol
Exact Mass225.14
IUPAC NameN-(2-ethyl-2-hydroxybutyl)-5-methylfuran-3-carboxamide
SMILESCCC(O)(CC)CNC(=O)c1coc(C)c1
InChIInChI=1S/C12H19NO3/c1-4-12(15,5-2)8-13-11(14)10-6-9(3)16-7-10/h6-7,15H,4-5,8H2,1-3H3,(H,13,14)
InChIKeyBXMZQJGPNWQRGO-UHFFFAOYSA-N
XLogP1.87
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-amino-2,2-dimethylpropyl)-5-methylfuran-3-carboxamide
CID 114818535
2,2-dimethyl-3-[(5-methylfuran-3-carbonyl)amino]propanoic acid
CID 114819150
N-(3-amino-2,2-dimethyl-3-sulfanylidenepropyl)-5-methylfuran-3-carboxamide
CID 114820786
N-(2-ethyl-2-hydroxybutyl)-3,5-dimethylfuran-2-carboxamide
CID 111780822
4-acetyl-N-(2-ethyl-2-hydroxybutyl)benzamide
CID 111483322
N-(2-ethyl-2-hydroxybutyl)-2-methylpyridine-4-carboxamide
CID 106753405
5-methyl-N-[3-(methylamino)propyl]furan-3-carboxamide
CID 114819329
3-N-(2-ethyl-2-hydroxybutyl)-1-N-methylbenzene-1,3-dicarboxamide
CID 111483358
2-methyl-2-[(5-methylfuran-3-carbonyl)amino]butanoic acid
CID 114819103
N-(2-ethyl-2-hydroxybutyl)-4-(trifluoromethyl)benzamide
CID 65112295
N-(2-ethyl-2-hydroxybutyl)-4-formylbenzamide
CID 111463479
N-(2-bromoprop-2-enyl)-5-methylfuran-3-carboxamide
CID 114821704

Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-2-hydroxybutyl)-5-methylfuran-3-carboxamide?
The IUPAC name of N-(2-ethyl-2-hydroxybutyl)-5-methylfuran-3-carboxamide (CID 114821770) is N-(2-ethyl-2-hydroxybutyl)-5-methylfuran-3-carboxamide.
What is the SMILES notation for N-(2-ethyl-2-hydroxybutyl)-5-methylfuran-3-carboxamide?
The canonical SMILES for N-(2-ethyl-2-hydroxybutyl)-5-methylfuran-3-carboxamide is CCC(O)(CC)CNC(=O)c1coc(C)c1.
What is the InChIKey of N-(2-ethyl-2-hydroxybutyl)-5-methylfuran-3-carboxamide?
The InChIKey is BXMZQJGPNWQRGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO3/c1-4-12(15,5-2)8-13-11(14)10-6-9(3)16-7-10/h6-7,15H,4-5,8H2,1-3H3,(H,13,14).
What are the key properties of N-(2-ethyl-2-hydroxybutyl)-5-methylfuran-3-carboxamide?
N-(2-ethyl-2-hydroxybutyl)-5-methylfuran-3-carboxamide has a molecular weight of 225.29 g/mol, XLogP of 1.87, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-2-hydroxybutyl)-5-methylfuran-3-carboxamide is sourced from PubChem (CID 114821770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).