2-[[2-(furan-2-yl)-2-oxoethyl]-propylamino]-N,N-dimethylacetamide

C13H20N2O3 — CID 62030551

IUPAC2-[[2-(furan-2-yl)-2-oxoethyl]-propylamino]-N,N-dimethylacetamide
SMILESCCCN(CC(=O)c1ccco1)CC(=O)N(C)C
InChIInChI=1S/C13H20N2O3/c1-4-7-15(10-13(17)14(2)3)9-11(16)12-6-5-8-18-12/h5-6,8H,4,7,9-10H2,1-3H3
InChIKeyJHQOBCHEGHWSLX-UHFFFAOYSA-N
MW252.31 g/mol
LogP1.26
Rot. Bonds7

About 2-[[2-(furan-2-yl)-2-oxoethyl]-propylamino]-N,N-dimethylacetamide

2-[[2-(furan-2-yl)-2-oxoethyl]-propylamino]-N,N-dimethylacetamide (PubChem CID 62030551) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is 2-[[2-(furan-2-yl)-2-oxoethyl]-propylamino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[[2-(furan-2-yl)-2-oxoethyl]-propylamino]-N,N-dimethylacetamide
PubChem CID62030551
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Name2-[[2-(furan-2-yl)-2-oxoethyl]-propylamino]-N,N-dimethylacetamide
SMILESCCCN(CC(=O)c1ccco1)CC(=O)N(C)C
InChIInChI=1S/C13H20N2O3/c1-4-7-15(10-13(17)14(2)3)9-11(16)12-6-5-8-18-12/h5-6,8H,4,7,9-10H2,1-3H3
InChIKeyJHQOBCHEGHWSLX-UHFFFAOYSA-N
XLogP1.26
TPSA53.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[[2-(furan-2-yl)-2-oxoethyl]-propylamino]-N,N-dimethylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(furan-2-yl)-2-[2-hydroxyethyl(propyl)amino]ethanone
CID 62053466
2-[[2-(4-hydroxyphenyl)-2-oxoethyl]-propylamino]-N,N-dimethylacetamide
CID 62030928
2-[[2-(4-methoxyphenyl)-2-oxoethyl]-propylamino]-N,N-dimethylacetamide
CID 62031315
3-[[2-(furan-2-yl)-2-oxoethyl]-(2-methylpropyl)amino]propanenitrile
CID 62052823
2-[[2-(2,4-dimethylphenyl)-2-oxoethyl]-propylamino]-N,N-dimethylacetamide
CID 62031117
2-[(3-cyanophenyl)methyl-propylamino]-N,N-dimethylacetamide
CID 54978960
methyl 2-[[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl]-propylamino]acetate
CID 62012537
1-(furan-2-yl)-2-[methyl(2,2,2-trifluoroethyl)amino]ethanone
CID 60892744
1-(furan-2-yl)-2-[3-methoxypropyl(methyl)amino]ethanone
CID 63008571
2-[1-(dimethylamino)propan-2-yl-ethylamino]-1-(furan-2-yl)ethanone
CID 103189899
N-butyl-N-methylfuran-2-carboxamide
CID 60670878
N,N-dimethyl-2-[[2-[methyl-[(2-methylphenyl)methyl]amino]-2-oxoethyl]-propylamino]acetamide
CID 60542879

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(furan-2-yl)-2-oxoethyl]-propylamino]-N,N-dimethylacetamide?
The IUPAC name of 2-[[2-(furan-2-yl)-2-oxoethyl]-propylamino]-N,N-dimethylacetamide (CID 62030551) is 2-[[2-(furan-2-yl)-2-oxoethyl]-propylamino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[[2-(furan-2-yl)-2-oxoethyl]-propylamino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[[2-(furan-2-yl)-2-oxoethyl]-propylamino]-N,N-dimethylacetamide is CCCN(CC(=O)c1ccco1)CC(=O)N(C)C.
What is the InChIKey of 2-[[2-(furan-2-yl)-2-oxoethyl]-propylamino]-N,N-dimethylacetamide?
The InChIKey is JHQOBCHEGHWSLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-4-7-15(10-13(17)14(2)3)9-11(16)12-6-5-8-18-12/h5-6,8H,4,7,9-10H2,1-3H3.
What are the key properties of 2-[[2-(furan-2-yl)-2-oxoethyl]-propylamino]-N,N-dimethylacetamide?
2-[[2-(furan-2-yl)-2-oxoethyl]-propylamino]-N,N-dimethylacetamide has a molecular weight of 252.31 g/mol, XLogP of 1.26, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(furan-2-yl)-2-oxoethyl]-propylamino]-N,N-dimethylacetamide is sourced from PubChem (CID 62030551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).