3-(furan-2-yl)-N-(1-hydroxy-4-methylpentan-3-yl)propanamide

C13H21NO3 — CID 103750763

IUPAC3-(furan-2-yl)-N-(1-hydroxy-4-methylpentan-3-yl)propanamide
SMILESCC(C)C(CCO)NC(=O)CCc1ccco1
InChIInChI=1S/C13H21NO3/c1-10(2)12(7-8-15)14-13(16)6-5-11-4-3-9-17-11/h3-4,9-10,12,15H,5-8H2,1-2H3,(H,14,16)
InChIKeyXOLOJUCMPNRFQP-UHFFFAOYSA-N
MW239.31 g/mol
LogP1.74
Rot. Bonds7

About 3-(furan-2-yl)-N-(1-hydroxy-4-methylpentan-3-yl)propanamide

3-(furan-2-yl)-N-(1-hydroxy-4-methylpentan-3-yl)propanamide (PubChem CID 103750763) has the molecular formula C13H21NO3 and a molecular weight of 239.31 g/mol. Its IUPAC name is 3-(furan-2-yl)-N-(1-hydroxy-4-methylpentan-3-yl)propanamide.

Molecular Properties

Compound Name3-(furan-2-yl)-N-(1-hydroxy-4-methylpentan-3-yl)propanamide
PubChem CID103750763
Molecular FormulaC13H21NO3
Molecular Weight239.31 g/mol
Exact Mass239.15
IUPAC Name3-(furan-2-yl)-N-(1-hydroxy-4-methylpentan-3-yl)propanamide
SMILESCC(C)C(CCO)NC(=O)CCc1ccco1
InChIInChI=1S/C13H21NO3/c1-10(2)12(7-8-15)14-13(16)6-5-11-4-3-9-17-11/h3-4,9-10,12,15H,5-8H2,1-2H3,(H,14,16)
InChIKeyXOLOJUCMPNRFQP-UHFFFAOYSA-N
XLogP1.74
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 ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(furan-2-yl)propanoylamino]-3-methylbutanoic acid
CID 43183392
3-(furan-2-ylmethylamino)-4-methylpentan-1-ol
CID 83818885
2-[3-(furan-2-yl)propanoylamino]-N,N-dimethylpropanamide
CID 47035846
N-(furan-2-ylmethyl)-2-[(1-hydroxy-4-methylpentan-3-yl)amino]propanamide
CID 104892008
3-(furan-2-yl)-N-[(1S)-1-pyridin-4-ylethyl]propanamide
CID 34761975
3-[3-(furan-2-yl)propanoylamino]-2-methyl-3-phenylpropanoic acid
CID 119218976
3-(furan-2-yl)-N-(1-thiophen-2-ylethyl)propanamide
CID 43005308
2-[3-(furan-2-yl)propanoylamino]-3-methylpentanoic acid
CID 43183434
3-(furan-2-yl)-N-[(2R)-2-hydroxypropyl]propanamide
CID 83032070
3-(furan-2-yl)-N-(2-oxopropyl)propanamide
CID 64996773
N-ethyl-3-(furan-2-yl)propanamide
CID 60690706
5-amino-N-[4-(furan-2-yl)butan-2-yl]-4-methylpentanamide
CID 82012267

Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-yl)-N-(1-hydroxy-4-methylpentan-3-yl)propanamide?
The IUPAC name of 3-(furan-2-yl)-N-(1-hydroxy-4-methylpentan-3-yl)propanamide (CID 103750763) is 3-(furan-2-yl)-N-(1-hydroxy-4-methylpentan-3-yl)propanamide.
What is the SMILES notation for 3-(furan-2-yl)-N-(1-hydroxy-4-methylpentan-3-yl)propanamide?
The canonical SMILES for 3-(furan-2-yl)-N-(1-hydroxy-4-methylpentan-3-yl)propanamide is CC(C)C(CCO)NC(=O)CCc1ccco1.
What is the InChIKey of 3-(furan-2-yl)-N-(1-hydroxy-4-methylpentan-3-yl)propanamide?
The InChIKey is XOLOJUCMPNRFQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO3/c1-10(2)12(7-8-15)14-13(16)6-5-11-4-3-9-17-11/h3-4,9-10,12,15H,5-8H2,1-2H3,(H,14,16).
What are the key properties of 3-(furan-2-yl)-N-(1-hydroxy-4-methylpentan-3-yl)propanamide?
3-(furan-2-yl)-N-(1-hydroxy-4-methylpentan-3-yl)propanamide has a molecular weight of 239.31 g/mol, XLogP of 1.74, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-yl)-N-(1-hydroxy-4-methylpentan-3-yl)propanamide is sourced from PubChem (CID 103750763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).