2-ethyl-N-[(2R)-2-hydroxy-2-(5-methylfuran-2-yl)propyl]butanamide

C14H23NO3 — CID 96521441

IUPAC2-ethyl-N-[(2R)-2-hydroxy-2-(5-methylfuran-2-yl)propyl]butanamide
SMILESCCC(CC)C(=O)NC[C@@](C)(O)c1ccc(C)o1
InChIInChI=1S/C14H23NO3/c1-5-11(6-2)13(16)15-9-14(4,17)12-8-7-10(3)18-12/h7-8,11,17H,5-6,9H2,1-4H3,(H,15,16)/t14-/m1/s1
InChIKeyXGKHIBUHFKCHDA-CQSZACIVSA-N
MW253.34 g/mol
LogP2.35
Rot. Bonds6

About 2-ethyl-N-[(2R)-2-hydroxy-2-(5-methylfuran-2-yl)propyl]butanamide

2-ethyl-N-[(2R)-2-hydroxy-2-(5-methylfuran-2-yl)propyl]butanamide (PubChem CID 96521441) has the molecular formula C14H23NO3 and a molecular weight of 253.34 g/mol. Its IUPAC name is 2-ethyl-N-[(2R)-2-hydroxy-2-(5-methylfuran-2-yl)propyl]butanamide.

Molecular Properties

Compound Name2-ethyl-N-[(2R)-2-hydroxy-2-(5-methylfuran-2-yl)propyl]butanamide
PubChem CID96521441
Molecular FormulaC14H23NO3
Molecular Weight253.34 g/mol
Exact Mass253.17
IUPAC Name2-ethyl-N-[(2R)-2-hydroxy-2-(5-methylfuran-2-yl)propyl]butanamide
SMILESCCC(CC)C(=O)NC[C@@](C)(O)c1ccc(C)o1
InChIInChI=1S/C14H23NO3/c1-5-11(6-2)13(16)15-9-14(4,17)12-8-7-10(3)18-12/h7-8,11,17H,5-6,9H2,1-4H3,(H,15,16)/t14-/m1/s1
InChIKeyXGKHIBUHFKCHDA-CQSZACIVSA-N
XLogP2.35
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-2-methylpentanamide
CID 111481295
2-(3,5-dimethylpyrazol-1-yl)-N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]propanamide
CID 111520095
1-[2-(dimethylamino)-2-methylpropyl]-3-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]urea
CID 111503988
N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]prop-2-enamide
CID 126814841
N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-2-methylbut-2-enamide
CID 111912236
N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-2-methoxyacetamide
CID 111481021
N-[(2R)-2-hydroxy-2-(5-methylfuran-2-yl)propyl]-3-methylbut-2-enamide
CID 96567216
N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-3,4-dimethylbenzamide
CID 111481218
3-N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-1-N-methylbenzene-1,3-dicarboxamide
CID 111481283
4-acetamido-N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]benzamide
CID 71869864
N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-1,2-oxazole-3-carboxamide
CID 111481145
N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-2-methyl-2-phenylpropanamide
CID 71985002

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[(2R)-2-hydroxy-2-(5-methylfuran-2-yl)propyl]butanamide?
The IUPAC name of 2-ethyl-N-[(2R)-2-hydroxy-2-(5-methylfuran-2-yl)propyl]butanamide (CID 96521441) is 2-ethyl-N-[(2R)-2-hydroxy-2-(5-methylfuran-2-yl)propyl]butanamide.
What is the SMILES notation for 2-ethyl-N-[(2R)-2-hydroxy-2-(5-methylfuran-2-yl)propyl]butanamide?
The canonical SMILES for 2-ethyl-N-[(2R)-2-hydroxy-2-(5-methylfuran-2-yl)propyl]butanamide is CCC(CC)C(=O)NC[C@@](C)(O)c1ccc(C)o1.
What is the InChIKey of 2-ethyl-N-[(2R)-2-hydroxy-2-(5-methylfuran-2-yl)propyl]butanamide?
The InChIKey is XGKHIBUHFKCHDA-CQSZACIVSA-N. The full InChI is InChI=1S/C14H23NO3/c1-5-11(6-2)13(16)15-9-14(4,17)12-8-7-10(3)18-12/h7-8,11,17H,5-6,9H2,1-4H3,(H,15,16)/t14-/m1/s1.
What are the key properties of 2-ethyl-N-[(2R)-2-hydroxy-2-(5-methylfuran-2-yl)propyl]butanamide?
2-ethyl-N-[(2R)-2-hydroxy-2-(5-methylfuran-2-yl)propyl]butanamide has a molecular weight of 253.34 g/mol, XLogP of 2.35, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[(2R)-2-hydroxy-2-(5-methylfuran-2-yl)propyl]butanamide is sourced from PubChem (CID 96521441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).