2,5-dimethyl-N-[2-methyl-3-(methylamino)propyl]furan-3-carboxamide

C12H20N2O2 — CID 81487603

IUPAC2,5-dimethyl-N-[2-methyl-3-(methylamino)propyl]furan-3-carboxamide
SMILESCNCC(C)CNC(=O)c1cc(C)oc1C
InChIInChI=1S/C12H20N2O2/c1-8(6-13-4)7-14-12(15)11-5-9(2)16-10(11)3/h5,8,13H,6-7H2,1-4H3,(H,14,15)
InChIKeyMWIKFHKSUGIDEG-UHFFFAOYSA-N
MW224.30 g/mol
LogP1.48
Rot. Bonds5

About 2,5-dimethyl-N-[2-methyl-3-(methylamino)propyl]furan-3-carboxamide

2,5-dimethyl-N-[2-methyl-3-(methylamino)propyl]furan-3-carboxamide (PubChem CID 81487603) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is 2,5-dimethyl-N-[2-methyl-3-(methylamino)propyl]furan-3-carboxamide.

Molecular Properties

Compound Name2,5-dimethyl-N-[2-methyl-3-(methylamino)propyl]furan-3-carboxamide
PubChem CID81487603
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC Name2,5-dimethyl-N-[2-methyl-3-(methylamino)propyl]furan-3-carboxamide
SMILESCNCC(C)CNC(=O)c1cc(C)oc1C
InChIInChI=1S/C12H20N2O2/c1-8(6-13-4)7-14-12(15)11-5-9(2)16-10(11)3/h5,8,13H,6-7H2,1-4H3,(H,14,15)
InChIKeyMWIKFHKSUGIDEG-UHFFFAOYSA-N
XLogP1.48
TPSA54.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-amino-2-methylbutyl)-2,5-dimethylfuran-3-carboxamide
CID 66089287
2,5-dimethyl-N-(3-methylbutyl)furan-3-carboxamide
CID 35523982
2,5-dimethyl-N-prop-2-enylfuran-3-carboxamide
CID 60653753
5-methyl-N-[(2S)-2-methyl-3-(methylamino)propyl]-1,2-oxazole-3-carboxamide
CID 97325190
N-(5-hydroxy-4-methylpentyl)-2,5-dimethylfuran-3-carboxamide
CID 103861683
N-(2-chloro-4,4-dimethylpentyl)-2,5-dimethylfuran-3-carboxamide
CID 107156842
N-(2-bromo-2-phenylethyl)-2,5-dimethylfuran-3-carboxamide
CID 114308477
2-hydroxy-4-methoxy-N-[2-methyl-3-(methylamino)propyl]benzamide
CID 115302649
N-(5-bromo-4-methylpentyl)-2,5-dimethylfuran-3-carboxamide
CID 106157282
N-(2-chloro-2-phenylethyl)-2,5-dimethylfuran-3-carboxamide
CID 113271444
N-(3-hydroxy-4,4-dimethylpentyl)-2,5-dimethylfuran-3-carboxamide
CID 71689766
N-[2-(4-aminophenyl)-2-hydroxyethyl]-2,5-dimethylfuran-3-carboxamide
CID 43461466

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-[2-methyl-3-(methylamino)propyl]furan-3-carboxamide?
The IUPAC name of 2,5-dimethyl-N-[2-methyl-3-(methylamino)propyl]furan-3-carboxamide (CID 81487603) is 2,5-dimethyl-N-[2-methyl-3-(methylamino)propyl]furan-3-carboxamide.
What is the SMILES notation for 2,5-dimethyl-N-[2-methyl-3-(methylamino)propyl]furan-3-carboxamide?
The canonical SMILES for 2,5-dimethyl-N-[2-methyl-3-(methylamino)propyl]furan-3-carboxamide is CNCC(C)CNC(=O)c1cc(C)oc1C.
What is the InChIKey of 2,5-dimethyl-N-[2-methyl-3-(methylamino)propyl]furan-3-carboxamide?
The InChIKey is MWIKFHKSUGIDEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-8(6-13-4)7-14-12(15)11-5-9(2)16-10(11)3/h5,8,13H,6-7H2,1-4H3,(H,14,15).
What are the key properties of 2,5-dimethyl-N-[2-methyl-3-(methylamino)propyl]furan-3-carboxamide?
2,5-dimethyl-N-[2-methyl-3-(methylamino)propyl]furan-3-carboxamide has a molecular weight of 224.30 g/mol, XLogP of 1.48, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-[2-methyl-3-(methylamino)propyl]furan-3-carboxamide is sourced from PubChem (CID 81487603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).