2-[[2-ethyl-2-(hydroxymethyl)butyl]amino]-N-(furan-2-ylmethyl)propanamide

C15H26N2O3 — CID 106255709

IUPAC2-[[2-ethyl-2-(hydroxymethyl)butyl]amino]-N-(furan-2-ylmethyl)propanamide
SMILESCCC(CC)(CO)CNC(C)C(=O)NCc1ccco1
InChIInChI=1S/C15H26N2O3/c1-4-15(5-2,11-18)10-17-12(3)14(19)16-9-13-7-6-8-20-13/h6-8,12,17-18H,4-5,9-11H2,1-3H3,(H,16,19)
InChIKeyVZUWICJMRVONKH-UHFFFAOYSA-N
MW282.38 g/mol
LogP1.67
Rot. Bonds9

About 2-[[2-ethyl-2-(hydroxymethyl)butyl]amino]-N-(furan-2-ylmethyl)propanamide

2-[[2-ethyl-2-(hydroxymethyl)butyl]amino]-N-(furan-2-ylmethyl)propanamide (PubChem CID 106255709) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is 2-[[2-ethyl-2-(hydroxymethyl)butyl]amino]-N-(furan-2-ylmethyl)propanamide.

Molecular Properties

Compound Name2-[[2-ethyl-2-(hydroxymethyl)butyl]amino]-N-(furan-2-ylmethyl)propanamide
PubChem CID106255709
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Name2-[[2-ethyl-2-(hydroxymethyl)butyl]amino]-N-(furan-2-ylmethyl)propanamide
SMILESCCC(CC)(CO)CNC(C)C(=O)NCc1ccco1
InChIInChI=1S/C15H26N2O3/c1-4-15(5-2,11-18)10-17-12(3)14(19)16-9-13-7-6-8-20-13/h6-8,12,17-18H,4-5,9-11H2,1-3H3,(H,16,19)
InChIKeyVZUWICJMRVONKH-UHFFFAOYSA-N
XLogP1.67
TPSA74.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 51.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(furan-2-ylmethyl)-2-[(4-hydroxy-2,2-dimethylbutyl)amino]propanamide
CID 106146484
2-[[2-(dimethylamino)-2-methylpropyl]amino]-N-(furan-2-ylmethyl)propanamide
CID 54940460
N-(furan-2-ylmethyl)-2-(2,2,3,3-tetrafluoropropylamino)propanamide
CID 106291294
2-[[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]amino]acetic acid
CID 43466208
2-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]-N-(furan-2-ylmethyl)propanamide
CID 106147403
2-(2-aminoethylamino)-N-(furan-2-ylmethyl)propanamide
CID 62139964
1-(2,2-diethyl-4-hydroxybutyl)-3-(furan-2-ylmethyl)urea
CID 111499070
N-(furan-2-ylmethyl)-2-[[2-oxo-2-(propylamino)ethyl]amino]propanamide
CID 43401459
N-(furan-2-ylmethyl)-2-[(1-hydroxy-4-methylpentan-3-yl)amino]propanamide
CID 104892008
N-(furan-2-ylmethyl)-2-[(4-methylphenyl)methylamino]propanamide
CID 43084593
2-[2-[ethyl(methyl)amino]ethylamino]-N-(furan-2-ylmethyl)propanamide
CID 62641023
N-(furan-2-ylmethyl)-2-[(3,4,5-trifluorophenyl)methylamino]propanamide
CID 119129013

Frequently Asked Questions

What is the IUPAC name of 2-[[2-ethyl-2-(hydroxymethyl)butyl]amino]-N-(furan-2-ylmethyl)propanamide?
The IUPAC name of 2-[[2-ethyl-2-(hydroxymethyl)butyl]amino]-N-(furan-2-ylmethyl)propanamide (CID 106255709) is 2-[[2-ethyl-2-(hydroxymethyl)butyl]amino]-N-(furan-2-ylmethyl)propanamide.
What is the SMILES notation for 2-[[2-ethyl-2-(hydroxymethyl)butyl]amino]-N-(furan-2-ylmethyl)propanamide?
The canonical SMILES for 2-[[2-ethyl-2-(hydroxymethyl)butyl]amino]-N-(furan-2-ylmethyl)propanamide is CCC(CC)(CO)CNC(C)C(=O)NCc1ccco1.
What is the InChIKey of 2-[[2-ethyl-2-(hydroxymethyl)butyl]amino]-N-(furan-2-ylmethyl)propanamide?
The InChIKey is VZUWICJMRVONKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3/c1-4-15(5-2,11-18)10-17-12(3)14(19)16-9-13-7-6-8-20-13/h6-8,12,17-18H,4-5,9-11H2,1-3H3,(H,16,19).
What are the key properties of 2-[[2-ethyl-2-(hydroxymethyl)butyl]amino]-N-(furan-2-ylmethyl)propanamide?
2-[[2-ethyl-2-(hydroxymethyl)butyl]amino]-N-(furan-2-ylmethyl)propanamide has a molecular weight of 282.38 g/mol, XLogP of 1.67, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-ethyl-2-(hydroxymethyl)butyl]amino]-N-(furan-2-ylmethyl)propanamide is sourced from PubChem (CID 106255709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).