3-[[3-(furan-2-ylmethoxy)-2-hydroxypropyl]amino]-2,2-dimethylpropanamide

C13H22N2O4 — CID 106276546

IUPAC3-[[3-(furan-2-ylmethoxy)-2-hydroxypropyl]amino]-2,2-dimethylpropanamide
SMILESCC(C)(CNCC(O)COCc1ccco1)C(N)=O
InChIInChI=1S/C13H22N2O4/c1-13(2,12(14)17)9-15-6-10(16)7-18-8-11-4-3-5-19-11/h3-5,10,15-16H,6-9H2,1-2H3,(H2,14,17)
InChIKeyPSDLSMHHLHZSNJ-UHFFFAOYSA-N
MW270.33 g/mol
LogP0.26
Rot. Bonds9

About 3-[[3-(furan-2-ylmethoxy)-2-hydroxypropyl]amino]-2,2-dimethylpropanamide

3-[[3-(furan-2-ylmethoxy)-2-hydroxypropyl]amino]-2,2-dimethylpropanamide (PubChem CID 106276546) has the molecular formula C13H22N2O4 and a molecular weight of 270.33 g/mol. Its IUPAC name is 3-[[3-(furan-2-ylmethoxy)-2-hydroxypropyl]amino]-2,2-dimethylpropanamide.

Molecular Properties

Compound Name3-[[3-(furan-2-ylmethoxy)-2-hydroxypropyl]amino]-2,2-dimethylpropanamide
PubChem CID106276546
Molecular FormulaC13H22N2O4
Molecular Weight270.33 g/mol
Exact Mass270.16
IUPAC Name3-[[3-(furan-2-ylmethoxy)-2-hydroxypropyl]amino]-2,2-dimethylpropanamide
SMILESCC(C)(CNCC(O)COCc1ccco1)C(N)=O
InChIInChI=1S/C13H22N2O4/c1-13(2,12(14)17)9-15-6-10(16)7-18-8-11-4-3-5-19-11/h3-5,10,15-16H,6-9H2,1-2H3,(H2,14,17)
InChIKeyPSDLSMHHLHZSNJ-UHFFFAOYSA-N
XLogP0.26
TPSA97.72 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 50.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(2-hydroxy-3-phenylmethoxypropyl)amino]-2,2-dimethylpropanamide
CID 106276229
1-(furan-2-ylmethoxy)-3-(methylamino)propan-2-ol
CID 2771927
1-(furan-2-ylmethoxy)-3-(prop-2-ynylamino)propan-2-ol
CID 60649357
1-(furan-2-ylmethoxy)-3-(2-methoxyethoxyamino)propan-2-ol
CID 82721549
1-(furan-2-ylmethoxy)-3-(pentylamino)propan-2-ol
CID 60633241
1-[2-(dimethylamino)ethylamino]-3-(furan-2-ylmethoxy)propan-2-ol
CID 60635601
(2R)-1-(furan-2-ylmethoxy)-3-(prop-2-enylamino)propan-2-ol
CID 93381179
1-(2,2-dimethylhydrazinyl)-3-(furan-2-ylmethoxy)propan-2-ol
CID 83014158
1-(furan-2-ylmethoxy)-3-(4-methylanilino)propan-2-ol
CID 60899568
1-[3-(diethylamino)propylamino]-3-(furan-2-ylmethoxy)propan-2-ol
CID 60634350
4-[[3-(furan-2-ylmethoxy)-2-hydroxypropyl]amino]pentan-2-ol
CID 113376215
1-(furan-2-ylmethoxy)-3-(4-iodoanilino)propan-2-ol
CID 60901372

Frequently Asked Questions

What is the IUPAC name of 3-[[3-(furan-2-ylmethoxy)-2-hydroxypropyl]amino]-2,2-dimethylpropanamide?
The IUPAC name of 3-[[3-(furan-2-ylmethoxy)-2-hydroxypropyl]amino]-2,2-dimethylpropanamide (CID 106276546) is 3-[[3-(furan-2-ylmethoxy)-2-hydroxypropyl]amino]-2,2-dimethylpropanamide.
What is the SMILES notation for 3-[[3-(furan-2-ylmethoxy)-2-hydroxypropyl]amino]-2,2-dimethylpropanamide?
The canonical SMILES for 3-[[3-(furan-2-ylmethoxy)-2-hydroxypropyl]amino]-2,2-dimethylpropanamide is CC(C)(CNCC(O)COCc1ccco1)C(N)=O.
What is the InChIKey of 3-[[3-(furan-2-ylmethoxy)-2-hydroxypropyl]amino]-2,2-dimethylpropanamide?
The InChIKey is PSDLSMHHLHZSNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O4/c1-13(2,12(14)17)9-15-6-10(16)7-18-8-11-4-3-5-19-11/h3-5,10,15-16H,6-9H2,1-2H3,(H2,14,17).
What are the key properties of 3-[[3-(furan-2-ylmethoxy)-2-hydroxypropyl]amino]-2,2-dimethylpropanamide?
3-[[3-(furan-2-ylmethoxy)-2-hydroxypropyl]amino]-2,2-dimethylpropanamide has a molecular weight of 270.33 g/mol, XLogP of 0.26, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(furan-2-ylmethoxy)-2-hydroxypropyl]amino]-2,2-dimethylpropanamide is sourced from PubChem (CID 106276546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).