N-[(3S,4R)-1-[4-(5-methylfuran-2-yl)benzoyl]-4-propylpyrrolidin-3-yl]acetamide

C21H26N2O3 — CID 70716515

IUPACN-[(3S,4R)-1-[4-(5-methylfuran-2-yl)benzoyl]-4-propylpyrrolidin-3-yl]acetamide
SMILESCCC[C@@H]1CN(C(=O)c2ccc(-c3ccc(C)o3)cc2)C[C@H]1NC(C)=O
InChIInChI=1S/C21H26N2O3/c1-4-5-18-12-23(13-19(18)22-15(3)24)21(25)17-9-7-16(8-10-17)20-11-6-14(2)26-20/h6-11,18-19H,4-5,12-13H2,1-3H3,(H,22,24)/t18-,19-/m1/s1
InChIKeyYEPQWRGYGBZJMB-RTBURBONSA-N
MW354.45 g/mol
LogP3.63
Rot. Bonds5

About N-[(3S,4R)-1-[4-(5-methylfuran-2-yl)benzoyl]-4-propylpyrrolidin-3-yl]acetamide

N-[(3S,4R)-1-[4-(5-methylfuran-2-yl)benzoyl]-4-propylpyrrolidin-3-yl]acetamide (PubChem CID 70716515) has the molecular formula C21H26N2O3 and a molecular weight of 354.45 g/mol. Its IUPAC name is N-[(3S,4R)-1-[4-(5-methylfuran-2-yl)benzoyl]-4-propylpyrrolidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[(3S,4R)-1-[4-(5-methylfuran-2-yl)benzoyl]-4-propylpyrrolidin-3-yl]acetamide
PubChem CID70716515
Molecular FormulaC21H26N2O3
Molecular Weight354.45 g/mol
Exact Mass354.19
IUPAC NameN-[(3S,4R)-1-[4-(5-methylfuran-2-yl)benzoyl]-4-propylpyrrolidin-3-yl]acetamide
SMILESCCC[C@@H]1CN(C(=O)c2ccc(-c3ccc(C)o3)cc2)C[C@H]1NC(C)=O
InChIInChI=1S/C21H26N2O3/c1-4-5-18-12-23(13-19(18)22-15(3)24)21(25)17-9-7-16(8-10-17)20-11-6-14(2)26-20/h6-11,18-19H,4-5,12-13H2,1-3H3,(H,22,24)/t18-,19-/m1/s1
InChIKeyYEPQWRGYGBZJMB-RTBURBONSA-N
XLogP3.63
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(3S,4R)-1-[4-(5-methylfuran-2-yl)benzoyl]-4-propylpyrrolidin-3-yl]acetamide 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 N-[(3S,4R)-1-[4-(5-methylfuran-2-yl)benzoyl]-4-propylpyrrolidin-3-yl]acetamide?
The IUPAC name of N-[(3S,4R)-1-[4-(5-methylfuran-2-yl)benzoyl]-4-propylpyrrolidin-3-yl]acetamide (CID 70716515) is N-[(3S,4R)-1-[4-(5-methylfuran-2-yl)benzoyl]-4-propylpyrrolidin-3-yl]acetamide.
What is the SMILES notation for N-[(3S,4R)-1-[4-(5-methylfuran-2-yl)benzoyl]-4-propylpyrrolidin-3-yl]acetamide?
The canonical SMILES for N-[(3S,4R)-1-[4-(5-methylfuran-2-yl)benzoyl]-4-propylpyrrolidin-3-yl]acetamide is CCC[C@@H]1CN(C(=O)c2ccc(-c3ccc(C)o3)cc2)C[C@H]1NC(C)=O.
What is the InChIKey of N-[(3S,4R)-1-[4-(5-methylfuran-2-yl)benzoyl]-4-propylpyrrolidin-3-yl]acetamide?
The InChIKey is YEPQWRGYGBZJMB-RTBURBONSA-N. The full InChI is InChI=1S/C21H26N2O3/c1-4-5-18-12-23(13-19(18)22-15(3)24)21(25)17-9-7-16(8-10-17)20-11-6-14(2)26-20/h6-11,18-19H,4-5,12-13H2,1-3H3,(H,22,24)/t18-,19-/m1/s1.
What are the key properties of N-[(3S,4R)-1-[4-(5-methylfuran-2-yl)benzoyl]-4-propylpyrrolidin-3-yl]acetamide?
N-[(3S,4R)-1-[4-(5-methylfuran-2-yl)benzoyl]-4-propylpyrrolidin-3-yl]acetamide has a molecular weight of 354.45 g/mol, XLogP of 3.63, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4R)-1-[4-(5-methylfuran-2-yl)benzoyl]-4-propylpyrrolidin-3-yl]acetamide is sourced from PubChem (CID 70716515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).