3-methyl-2-[3-(5-phenylfuran-2-yl)propanoylamino]pentanamide

C19H24N2O3 — CID 78773204

IUPAC3-methyl-2-[3-(5-phenylfuran-2-yl)propanoylamino]pentanamide
SMILESCCC(C)C(NC(=O)CCc1ccc(-c2ccccc2)o1)C(N)=O
InChIInChI=1S/C19H24N2O3/c1-3-13(2)18(19(20)23)21-17(22)12-10-15-9-11-16(24-15)14-7-5-4-6-8-14/h4-9,11,13,18H,3,10,12H2,1-2H3,(H2,20,23)(H,21,22)
InChIKeySDQOURKKGMJGGJ-UHFFFAOYSA-N
MW328.41 g/mol
LogP2.90
Rot. Bonds8

About 3-methyl-2-[3-(5-phenylfuran-2-yl)propanoylamino]pentanamide

3-methyl-2-[3-(5-phenylfuran-2-yl)propanoylamino]pentanamide (PubChem CID 78773204) has the molecular formula C19H24N2O3 and a molecular weight of 328.41 g/mol. Its IUPAC name is 3-methyl-2-[3-(5-phenylfuran-2-yl)propanoylamino]pentanamide.

Molecular Properties

Compound Name3-methyl-2-[3-(5-phenylfuran-2-yl)propanoylamino]pentanamide
PubChem CID78773204
Molecular FormulaC19H24N2O3
Molecular Weight328.41 g/mol
Exact Mass328.18
IUPAC Name3-methyl-2-[3-(5-phenylfuran-2-yl)propanoylamino]pentanamide
SMILESCCC(C)C(NC(=O)CCc1ccc(-c2ccccc2)o1)C(N)=O
InChIInChI=1S/C19H24N2O3/c1-3-13(2)18(19(20)23)21-17(22)12-10-15-9-11-16(24-15)14-7-5-4-6-8-14/h4-9,11,13,18H,3,10,12H2,1-2H3,(H2,20,23)(H,21,22)
InChIKeySDQOURKKGMJGGJ-UHFFFAOYSA-N
XLogP2.90
TPSA85.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[3-(5-phenylfuran-2-yl)propanoylamino]pentanamide?
The IUPAC name of 3-methyl-2-[3-(5-phenylfuran-2-yl)propanoylamino]pentanamide (CID 78773204) is 3-methyl-2-[3-(5-phenylfuran-2-yl)propanoylamino]pentanamide.
What is the SMILES notation for 3-methyl-2-[3-(5-phenylfuran-2-yl)propanoylamino]pentanamide?
The canonical SMILES for 3-methyl-2-[3-(5-phenylfuran-2-yl)propanoylamino]pentanamide is CCC(C)C(NC(=O)CCc1ccc(-c2ccccc2)o1)C(N)=O.
What is the InChIKey of 3-methyl-2-[3-(5-phenylfuran-2-yl)propanoylamino]pentanamide?
The InChIKey is SDQOURKKGMJGGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3/c1-3-13(2)18(19(20)23)21-17(22)12-10-15-9-11-16(24-15)14-7-5-4-6-8-14/h4-9,11,13,18H,3,10,12H2,1-2H3,(H2,20,23)(H,21,22).
What are the key properties of 3-methyl-2-[3-(5-phenylfuran-2-yl)propanoylamino]pentanamide?
3-methyl-2-[3-(5-phenylfuran-2-yl)propanoylamino]pentanamide has a molecular weight of 328.41 g/mol, XLogP of 2.90, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[3-(5-phenylfuran-2-yl)propanoylamino]pentanamide is sourced from PubChem (CID 78773204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).