3-(dimethylamino)-N-[2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]propanamide

C16H27N3O2 — CID 75419402

IUPAC3-(dimethylamino)-N-[2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]propanamide
SMILESCc1ccc(C(CNC(=O)CCN(C)C)N2CCCC2)o1
InChIInChI=1S/C16H27N3O2/c1-13-6-7-15(21-13)14(19-9-4-5-10-19)12-17-16(20)8-11-18(2)3/h6-7,14H,4-5,8-12H2,1-3H3,(H,17,20)
InChIKeyGCBZCDYGEMDNLA-UHFFFAOYSA-N
MW293.41 g/mol
LogP1.79
Rot. Bonds7

About 3-(dimethylamino)-N-[2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]propanamide

3-(dimethylamino)-N-[2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]propanamide (PubChem CID 75419402) has the molecular formula C16H27N3O2 and a molecular weight of 293.41 g/mol. Its IUPAC name is 3-(dimethylamino)-N-[2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]propanamide.

Molecular Properties

Compound Name3-(dimethylamino)-N-[2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]propanamide
PubChem CID75419402
Molecular FormulaC16H27N3O2
Molecular Weight293.41 g/mol
Exact Mass293.21
IUPAC Name3-(dimethylamino)-N-[2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]propanamide
SMILESCc1ccc(C(CNC(=O)CCN(C)C)N2CCCC2)o1
InChIInChI=1S/C16H27N3O2/c1-13-6-7-15(21-13)14(19-9-4-5-10-19)12-17-16(20)8-11-18(2)3/h6-7,14H,4-5,8-12H2,1-3H3,(H,17,20)
InChIKeyGCBZCDYGEMDNLA-UHFFFAOYSA-N
XLogP1.79
TPSA48.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(dimethylamino)-N-[2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]propanamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-N-[2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]propanamide?
The IUPAC name of 3-(dimethylamino)-N-[2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]propanamide (CID 75419402) is 3-(dimethylamino)-N-[2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]propanamide.
What is the SMILES notation for 3-(dimethylamino)-N-[2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]propanamide?
The canonical SMILES for 3-(dimethylamino)-N-[2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]propanamide is Cc1ccc(C(CNC(=O)CCN(C)C)N2CCCC2)o1.
What is the InChIKey of 3-(dimethylamino)-N-[2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]propanamide?
The InChIKey is GCBZCDYGEMDNLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O2/c1-13-6-7-15(21-13)14(19-9-4-5-10-19)12-17-16(20)8-11-18(2)3/h6-7,14H,4-5,8-12H2,1-3H3,(H,17,20).
What are the key properties of 3-(dimethylamino)-N-[2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]propanamide?
3-(dimethylamino)-N-[2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]propanamide has a molecular weight of 293.41 g/mol, XLogP of 1.79, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-N-[2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]propanamide is sourced from PubChem (CID 75419402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).