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

C11H18N2O2 — CID 81479014

IUPAC3-methyl-N-[2-methyl-3-(methylamino)propyl]furan-2-carboxamide
SMILESCNCC(C)CNC(=O)c1occc1C
InChIInChI=1S/C11H18N2O2/c1-8(6-12-3)7-13-11(14)10-9(2)4-5-15-10/h4-5,8,12H,6-7H2,1-3H3,(H,13,14)
InChIKeySJYBJHLIRANGLI-UHFFFAOYSA-N
MW210.28 g/mol
LogP1.17
Rot. Bonds5

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

3-methyl-N-[2-methyl-3-(methylamino)propyl]furan-2-carboxamide (PubChem CID 81479014) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 3-methyl-N-[2-methyl-3-(methylamino)propyl]furan-2-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[2-methyl-3-(methylamino)propyl]furan-2-carboxamide
PubChem CID81479014
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Name3-methyl-N-[2-methyl-3-(methylamino)propyl]furan-2-carboxamide
SMILESCNCC(C)CNC(=O)c1occc1C
InChIInChI=1S/C11H18N2O2/c1-8(6-12-3)7-13-11(14)10-9(2)4-5-15-10/h4-5,8,12H,6-7H2,1-3H3,(H,13,14)
InChIKeySJYBJHLIRANGLI-UHFFFAOYSA-N
XLogP1.17
TPSA54.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-aminobutyl)-3-methylfuran-2-carboxamide
CID 63732617
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-3-methylfuran-2-carboxamide
CID 119525583
N-(cyanomethyl)-3-methylfuran-2-carboxamide
CID 60893946
N-[2-(2-hydroxypropylamino)ethyl]-3-methylfuran-2-carboxamide
CID 104593838
4-methyl-N-[2-methyl-3-(methylamino)propyl]benzamide
CID 81479378
3-[(3-methylfuran-2-carbonyl)amino]-2-phenylpropanoic acid
CID 62883833
3-methoxy-4-[(3-methylfuran-2-carbonyl)amino]butanoic acid
CID 103152988
N-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]-3-methylfuran-2-carboxamide
CID 32633181
N-[2-(2,6-dimethylmorpholin-4-yl)propyl]-3-methylfuran-2-carboxamide
CID 47028009
2-iodo-3-methyl-N-[2-methyl-3-(methylamino)propyl]benzamide
CID 113265693
3-methyl-N-[2-methyl-3-(methylamino)propyl]pyridine-2-carboxamide
CID 81479287
N-[3-[(3-amino-2-methylbutanoyl)amino]propyl]-3-methylfuran-2-carboxamide
CID 120501390

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[2-methyl-3-(methylamino)propyl]furan-2-carboxamide?
The IUPAC name of 3-methyl-N-[2-methyl-3-(methylamino)propyl]furan-2-carboxamide (CID 81479014) is 3-methyl-N-[2-methyl-3-(methylamino)propyl]furan-2-carboxamide.
What is the SMILES notation for 3-methyl-N-[2-methyl-3-(methylamino)propyl]furan-2-carboxamide?
The canonical SMILES for 3-methyl-N-[2-methyl-3-(methylamino)propyl]furan-2-carboxamide is CNCC(C)CNC(=O)c1occc1C.
What is the InChIKey of 3-methyl-N-[2-methyl-3-(methylamino)propyl]furan-2-carboxamide?
The InChIKey is SJYBJHLIRANGLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-8(6-12-3)7-13-11(14)10-9(2)4-5-15-10/h4-5,8,12H,6-7H2,1-3H3,(H,13,14).
What are the key properties of 3-methyl-N-[2-methyl-3-(methylamino)propyl]furan-2-carboxamide?
3-methyl-N-[2-methyl-3-(methylamino)propyl]furan-2-carboxamide has a molecular weight of 210.28 g/mol, XLogP of 1.17, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[2-methyl-3-(methylamino)propyl]furan-2-carboxamide is sourced from PubChem (CID 81479014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).