2-[1-(dimethylamino)propan-2-ylamino]-N-(furan-2-ylmethyl)propanamide

C13H23N3O2 — CID 82938141

IUPAC2-[1-(dimethylamino)propan-2-ylamino]-N-(furan-2-ylmethyl)propanamide
SMILESCC(CN(C)C)NC(C)C(=O)NCc1ccco1
InChIInChI=1S/C13H23N3O2/c1-10(9-16(3)4)15-11(2)13(17)14-8-12-6-5-7-18-12/h5-7,10-11,15H,8-9H2,1-4H3,(H,14,17)
InChIKeyJYPPCVKTVLSBLF-UHFFFAOYSA-N
MW253.35 g/mol
LogP0.82
Rot. Bonds7

About 2-[1-(dimethylamino)propan-2-ylamino]-N-(furan-2-ylmethyl)propanamide

2-[1-(dimethylamino)propan-2-ylamino]-N-(furan-2-ylmethyl)propanamide (PubChem CID 82938141) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is 2-[1-(dimethylamino)propan-2-ylamino]-N-(furan-2-ylmethyl)propanamide.

Molecular Properties

Compound Name2-[1-(dimethylamino)propan-2-ylamino]-N-(furan-2-ylmethyl)propanamide
PubChem CID82938141
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC Name2-[1-(dimethylamino)propan-2-ylamino]-N-(furan-2-ylmethyl)propanamide
SMILESCC(CN(C)C)NC(C)C(=O)NCc1ccco1
InChIInChI=1S/C13H23N3O2/c1-10(9-16(3)4)15-11(2)13(17)14-8-12-6-5-7-18-12/h5-7,10-11,15H,8-9H2,1-4H3,(H,14,17)
InChIKeyJYPPCVKTVLSBLF-UHFFFAOYSA-N
XLogP0.82
TPSA57.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(furan-2-ylmethyl)-2-(heptan-2-ylamino)propanamide
CID 60677219
(2R)-2-[3-(dimethylamino)propylamino]-N-(furan-2-ylmethyl)propanamide
CID 7437364
2-[[2-(dimethylamino)-2-methylpropyl]amino]-N-(furan-2-ylmethyl)propanamide
CID 54940460
2-[[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]amino]acetic acid
CID 43466208
N-(furan-2-ylmethyl)-2-(1-pyrazol-1-ylpropan-2-ylamino)propanamide
CID 61462816
N-(furan-2-ylmethyl)-2-[(1-hydroxy-4-methylpentan-3-yl)amino]propanamide
CID 104892008
N-(furan-2-ylmethyl)-2-(hexan-3-ylamino)propanamide
CID 62119494
(2R)-N-(furan-2-ylmethyl)-2-hydroxypropanamide
CID 93242884
N-(furan-2-ylmethyl)-2-(methoxyamino)propanamide
CID 60702583
N-(furan-2-ylmethyl)-2-[2-[methyl(propan-2-yl)amino]ethylamino]propanamide
CID 62639953
N-(furan-2-ylmethyl)-2-(1-methylsulfanylbutan-2-ylamino)propanamide
CID 113494652
2-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]-N-(furan-2-ylmethyl)propanamide
CID 106147403

Frequently Asked Questions

What is the IUPAC name of 2-[1-(dimethylamino)propan-2-ylamino]-N-(furan-2-ylmethyl)propanamide?
The IUPAC name of 2-[1-(dimethylamino)propan-2-ylamino]-N-(furan-2-ylmethyl)propanamide (CID 82938141) is 2-[1-(dimethylamino)propan-2-ylamino]-N-(furan-2-ylmethyl)propanamide.
What is the SMILES notation for 2-[1-(dimethylamino)propan-2-ylamino]-N-(furan-2-ylmethyl)propanamide?
The canonical SMILES for 2-[1-(dimethylamino)propan-2-ylamino]-N-(furan-2-ylmethyl)propanamide is CC(CN(C)C)NC(C)C(=O)NCc1ccco1.
What is the InChIKey of 2-[1-(dimethylamino)propan-2-ylamino]-N-(furan-2-ylmethyl)propanamide?
The InChIKey is JYPPCVKTVLSBLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2/c1-10(9-16(3)4)15-11(2)13(17)14-8-12-6-5-7-18-12/h5-7,10-11,15H,8-9H2,1-4H3,(H,14,17).
What are the key properties of 2-[1-(dimethylamino)propan-2-ylamino]-N-(furan-2-ylmethyl)propanamide?
2-[1-(dimethylamino)propan-2-ylamino]-N-(furan-2-ylmethyl)propanamide has a molecular weight of 253.35 g/mol, XLogP of 0.82, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(dimethylamino)propan-2-ylamino]-N-(furan-2-ylmethyl)propanamide is sourced from PubChem (CID 82938141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).