5-[[3-(3,5-dimethylphenyl)propanoylamino]methyl]-N-methylfuran-2-carboxamide

C18H22N2O3 — CID 50949888

IUPAC5-[[3-(3,5-dimethylphenyl)propanoylamino]methyl]-N-methylfuran-2-carboxamide
SMILESCNC(=O)c1ccc(CNC(=O)CCc2cc(C)cc(C)c2)o1
InChIInChI=1S/C18H22N2O3/c1-12-8-13(2)10-14(9-12)4-7-17(21)20-11-15-5-6-16(23-15)18(22)19-3/h5-6,8-10H,4,7,11H2,1-3H3,(H,19,22)(H,20,21)
InChIKeyKQPJQCNHVYVSJM-UHFFFAOYSA-N
MW314.39 g/mol
LogP2.51
Rot. Bonds6

About 5-[[3-(3,5-dimethylphenyl)propanoylamino]methyl]-N-methylfuran-2-carboxamide

5-[[3-(3,5-dimethylphenyl)propanoylamino]methyl]-N-methylfuran-2-carboxamide (PubChem CID 50949888) has the molecular formula C18H22N2O3 and a molecular weight of 314.39 g/mol. Its IUPAC name is 5-[[3-(3,5-dimethylphenyl)propanoylamino]methyl]-N-methylfuran-2-carboxamide.

Molecular Properties

Compound Name5-[[3-(3,5-dimethylphenyl)propanoylamino]methyl]-N-methylfuran-2-carboxamide
PubChem CID50949888
Molecular FormulaC18H22N2O3
Molecular Weight314.39 g/mol
Exact Mass314.16
IUPAC Name5-[[3-(3,5-dimethylphenyl)propanoylamino]methyl]-N-methylfuran-2-carboxamide
SMILESCNC(=O)c1ccc(CNC(=O)CCc2cc(C)cc(C)c2)o1
InChIInChI=1S/C18H22N2O3/c1-12-8-13(2)10-14(9-12)4-7-17(21)20-11-15-5-6-16(23-15)18(22)19-3/h5-6,8-10H,4,7,11H2,1-3H3,(H,19,22)(H,20,21)
InChIKeyKQPJQCNHVYVSJM-UHFFFAOYSA-N
XLogP2.51
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-[[3-(4-ethylphenyl)propanoylamino]methyl]furan-2-carboxylic acid
CID 119246024
N-methyl-5-[[[(4R)-4-(4-methylpiperazin-1-yl)pentanoyl]amino]methyl]furan-2-carboxamide
CID 125163780
3-(3,5-dimethylphenyl)-N-[(4-sulfamoylphenyl)methyl]propanamide
CID 50971111
5-[[[2-(3-methylphenyl)acetyl]amino]methyl]furan-2-carboxylic acid
CID 75356368
5-[[4-(4-methylphenyl)butanoylamino]methyl]furan-2-carboxylic acid
CID 119245690
formic acid;N-methyl-5-[(4-pyrrolidin-1-ylpentanoylamino)methyl]furan-2-carboxamide
CID 154905765
5-ethyl-N-methylfuran-2-carboxamide
CID 60751451
1-methyl-N-[[5-(methylcarbamoyl)furan-2-yl]methyl]-3-propylpyrazole-5-carboxamide
CID 70723882
4-[4-[[3-(3,5-dimethylphenyl)propanoylamino]methyl]phenoxy]butanoic acid
CID 120527515
2-[3-[[3-(3,5-dimethylphenyl)propanoylamino]methyl]phenoxy]acetic acid
CID 120527410
N-methyl-5-(methylsulfanylmethyl)furan-2-carboxamide
CID 60637044
2-methyl-5-[[3-(4-propan-2-ylphenyl)propanoylamino]methyl]furan-3-carboxylic acid
CID 119226788

Frequently Asked Questions

What is the IUPAC name of 5-[[3-(3,5-dimethylphenyl)propanoylamino]methyl]-N-methylfuran-2-carboxamide?
The IUPAC name of 5-[[3-(3,5-dimethylphenyl)propanoylamino]methyl]-N-methylfuran-2-carboxamide (CID 50949888) is 5-[[3-(3,5-dimethylphenyl)propanoylamino]methyl]-N-methylfuran-2-carboxamide.
What is the SMILES notation for 5-[[3-(3,5-dimethylphenyl)propanoylamino]methyl]-N-methylfuran-2-carboxamide?
The canonical SMILES for 5-[[3-(3,5-dimethylphenyl)propanoylamino]methyl]-N-methylfuran-2-carboxamide is CNC(=O)c1ccc(CNC(=O)CCc2cc(C)cc(C)c2)o1.
What is the InChIKey of 5-[[3-(3,5-dimethylphenyl)propanoylamino]methyl]-N-methylfuran-2-carboxamide?
The InChIKey is KQPJQCNHVYVSJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3/c1-12-8-13(2)10-14(9-12)4-7-17(21)20-11-15-5-6-16(23-15)18(22)19-3/h5-6,8-10H,4,7,11H2,1-3H3,(H,19,22)(H,20,21).
What are the key properties of 5-[[3-(3,5-dimethylphenyl)propanoylamino]methyl]-N-methylfuran-2-carboxamide?
5-[[3-(3,5-dimethylphenyl)propanoylamino]methyl]-N-methylfuran-2-carboxamide has a molecular weight of 314.39 g/mol, XLogP of 2.51, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-(3,5-dimethylphenyl)propanoylamino]methyl]-N-methylfuran-2-carboxamide is sourced from PubChem (CID 50949888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).