2-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]-N-(furan-2-ylmethyl)propanamide

C14H25N3O3 — CID 106147403

IUPAC2-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]-N-(furan-2-ylmethyl)propanamide
SMILESCC(NCC(C)(O)CN(C)C)C(=O)NCc1ccco1
InChIInChI=1S/C14H25N3O3/c1-11(16-9-14(2,19)10-17(3)4)13(18)15-8-12-6-5-7-20-12/h5-7,11,16,19H,8-10H2,1-4H3,(H,15,18)
InChIKeyVXGTYRSAIJHTDG-UHFFFAOYSA-N
MW283.37 g/mol
LogP0.19
Rot. Bonds8

About 2-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]-N-(furan-2-ylmethyl)propanamide

2-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]-N-(furan-2-ylmethyl)propanamide (PubChem CID 106147403) has the molecular formula C14H25N3O3 and a molecular weight of 283.37 g/mol. Its IUPAC name is 2-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]-N-(furan-2-ylmethyl)propanamide.

Molecular Properties

Compound Name2-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]-N-(furan-2-ylmethyl)propanamide
PubChem CID106147403
Molecular FormulaC14H25N3O3
Molecular Weight283.37 g/mol
Exact Mass283.19
IUPAC Name2-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]-N-(furan-2-ylmethyl)propanamide
SMILESCC(NCC(C)(O)CN(C)C)C(=O)NCc1ccco1
InChIInChI=1S/C14H25N3O3/c1-11(16-9-14(2,19)10-17(3)4)13(18)15-8-12-6-5-7-20-12/h5-7,11,16,19H,8-10H2,1-4H3,(H,15,18)
InChIKeyVXGTYRSAIJHTDG-UHFFFAOYSA-N
XLogP0.19
TPSA77.74 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 50.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[2-(dimethylamino)-2-methylpropyl]amino]-N-(furan-2-ylmethyl)propanamide
CID 54940460
N-(furan-2-ylmethyl)-2-[(4-hydroxy-2,2-dimethylbutyl)amino]propanamide
CID 106146484
(2R)-2-[3-(dimethylamino)propylamino]-N-(furan-2-ylmethyl)propanamide
CID 7437364
N-(furan-2-ylmethyl)-2-(2,2,3,3-tetrafluoropropylamino)propanamide
CID 106291294
2-[[2-ethyl-2-(hydroxymethyl)butyl]amino]-N-(furan-2-ylmethyl)propanamide
CID 106255709
N-(furan-2-ylmethyl)-2-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]propanamide
CID 106189742
2-[[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]amino]acetic acid
CID 43466208
N-(furan-2-ylmethyl)-2-[2-[methyl(propan-2-yl)amino]ethylamino]propanamide
CID 62639953
2-[1-(dimethylamino)propan-2-ylamino]-N-(furan-2-ylmethyl)propanamide
CID 82938141
2-[2-[ethyl(methyl)amino]ethylamino]-N-(furan-2-ylmethyl)propanamide
CID 62641023
2-(2-aminoethylamino)-N-(furan-2-ylmethyl)propanamide
CID 62139964
2-[[1-(dimethylamino)cyclopentyl]methylamino]-N-(furan-2-ylmethyl)propanamide
CID 78915193

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]-N-(furan-2-ylmethyl)propanamide?
The IUPAC name of 2-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]-N-(furan-2-ylmethyl)propanamide (CID 106147403) is 2-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]-N-(furan-2-ylmethyl)propanamide.
What is the SMILES notation for 2-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]-N-(furan-2-ylmethyl)propanamide?
The canonical SMILES for 2-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]-N-(furan-2-ylmethyl)propanamide is CC(NCC(C)(O)CN(C)C)C(=O)NCc1ccco1.
What is the InChIKey of 2-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]-N-(furan-2-ylmethyl)propanamide?
The InChIKey is VXGTYRSAIJHTDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O3/c1-11(16-9-14(2,19)10-17(3)4)13(18)15-8-12-6-5-7-20-12/h5-7,11,16,19H,8-10H2,1-4H3,(H,15,18).
What are the key properties of 2-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]-N-(furan-2-ylmethyl)propanamide?
2-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]-N-(furan-2-ylmethyl)propanamide has a molecular weight of 283.37 g/mol, XLogP of 0.19, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]-N-(furan-2-ylmethyl)propanamide is sourced from PubChem (CID 106147403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).