2-ethyl-N-[3-(furan-2-yl)-3-hydroxypropyl]butanamide

C13H21NO3 — CID 90523672

IUPAC2-ethyl-N-[3-(furan-2-yl)-3-hydroxypropyl]butanamide
SMILESCCC(CC)C(=O)NCCC(O)c1ccco1
InChIInChI=1S/C13H21NO3/c1-3-10(4-2)13(16)14-8-7-11(15)12-6-5-9-17-12/h5-6,9-11,15H,3-4,7-8H2,1-2H3,(H,14,16)
InChIKeySAIXUATVZJCIAU-UHFFFAOYSA-N
MW239.31 g/mol
LogP2.26
Rot. Bonds7

About 2-ethyl-N-[3-(furan-2-yl)-3-hydroxypropyl]butanamide

2-ethyl-N-[3-(furan-2-yl)-3-hydroxypropyl]butanamide (PubChem CID 90523672) has the molecular formula C13H21NO3 and a molecular weight of 239.31 g/mol. Its IUPAC name is 2-ethyl-N-[3-(furan-2-yl)-3-hydroxypropyl]butanamide.

Molecular Properties

Compound Name2-ethyl-N-[3-(furan-2-yl)-3-hydroxypropyl]butanamide
PubChem CID90523672
Molecular FormulaC13H21NO3
Molecular Weight239.31 g/mol
Exact Mass239.15
IUPAC Name2-ethyl-N-[3-(furan-2-yl)-3-hydroxypropyl]butanamide
SMILESCCC(CC)C(=O)NCCC(O)c1ccco1
InChIInChI=1S/C13H21NO3/c1-3-10(4-2)13(16)14-8-7-11(15)12-6-5-9-17-12/h5-6,9-11,15H,3-4,7-8H2,1-2H3,(H,14,16)
InChIKeySAIXUATVZJCIAU-UHFFFAOYSA-N
XLogP2.26
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.31
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(furan-2-yl)-3-hydroxypropyl]benzamide
CID 90523674
N'-tert-butyl-N-[3-(furan-2-yl)-3-hydroxypropyl]oxamide
CID 90523886
N-[3-(furan-2-yl)-3-hydroxypropyl]-4-phenylbenzamide
CID 71787703
N-[(3R)-3-(furan-2-yl)-3-hydroxypropyl]-2-(4-methoxyphenyl)acetamide
CID 95740998
5-chloro-N-[3-(furan-2-yl)-3-hydroxypropyl]thiophene-2-carboxamide
CID 71787678
N-[3-(furan-2-yl)-3-hydroxypropyl]propane-1-sulfonamide
CID 90523800
N-[3-(furan-2-yl)-3-hydroxypropyl]-2-(4-propan-2-ylsulfonylphenyl)acetamide
CID 90523787
1-benzhydryl-3-[3-(furan-2-yl)-3-hydroxypropyl]urea
CID 71787781
N'-(3,4-dimethylphenyl)-N-[3-(furan-2-yl)-3-hydroxypropyl]oxamide
CID 90523908
4-butyl-N-[3-(furan-2-yl)-3-hydroxypropyl]cyclohexane-1-carboxamide
CID 90523741
N-[3-(furan-2-yl)-3-hydroxypropyl]-2-phenoxybenzamide
CID 90523775
N'-(2,3-dimethylphenyl)-N-[3-(furan-2-yl)-3-hydroxypropyl]oxamide
CID 71787744

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[3-(furan-2-yl)-3-hydroxypropyl]butanamide?
The IUPAC name of 2-ethyl-N-[3-(furan-2-yl)-3-hydroxypropyl]butanamide (CID 90523672) is 2-ethyl-N-[3-(furan-2-yl)-3-hydroxypropyl]butanamide.
What is the SMILES notation for 2-ethyl-N-[3-(furan-2-yl)-3-hydroxypropyl]butanamide?
The canonical SMILES for 2-ethyl-N-[3-(furan-2-yl)-3-hydroxypropyl]butanamide is CCC(CC)C(=O)NCCC(O)c1ccco1.
What is the InChIKey of 2-ethyl-N-[3-(furan-2-yl)-3-hydroxypropyl]butanamide?
The InChIKey is SAIXUATVZJCIAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO3/c1-3-10(4-2)13(16)14-8-7-11(15)12-6-5-9-17-12/h5-6,9-11,15H,3-4,7-8H2,1-2H3,(H,14,16).
What are the key properties of 2-ethyl-N-[3-(furan-2-yl)-3-hydroxypropyl]butanamide?
2-ethyl-N-[3-(furan-2-yl)-3-hydroxypropyl]butanamide has a molecular weight of 239.31 g/mol, XLogP of 2.26, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[3-(furan-2-yl)-3-hydroxypropyl]butanamide is sourced from PubChem (CID 90523672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).