N-[(3S,4R)-1-(2-methylfuran-3-carbonyl)-4-(4-methylphenyl)pyrrolidin-3-yl]cyclopropanecarboxamide

C21H24N2O3 — CID 70733657

IUPACN-[(3S,4R)-1-(2-methylfuran-3-carbonyl)-4-(4-methylphenyl)pyrrolidin-3-yl]cyclopropanecarboxamide
SMILESCc1ccc([C@@H]2CN(C(=O)c3ccoc3C)C[C@H]2NC(=O)C2CC2)cc1
InChIInChI=1S/C21H24N2O3/c1-13-3-5-15(6-4-13)18-11-23(21(25)17-9-10-26-14(17)2)12-19(18)22-20(24)16-7-8-16/h3-6,9-10,16,18-19H,7-8,11-12H2,1-2H3,(H,22,24)/t18-,19+/m0/s1
InChIKeyIWBFYGVQHSVGHV-RBUKOAKNSA-N
MW352.43 g/mol
LogP3.03
Rot. Bonds4

About N-[(3S,4R)-1-(2-methylfuran-3-carbonyl)-4-(4-methylphenyl)pyrrolidin-3-yl]cyclopropanecarboxamide

N-[(3S,4R)-1-(2-methylfuran-3-carbonyl)-4-(4-methylphenyl)pyrrolidin-3-yl]cyclopropanecarboxamide (PubChem CID 70733657) has the molecular formula C21H24N2O3 and a molecular weight of 352.43 g/mol. Its IUPAC name is N-[(3S,4R)-1-(2-methylfuran-3-carbonyl)-4-(4-methylphenyl)pyrrolidin-3-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[(3S,4R)-1-(2-methylfuran-3-carbonyl)-4-(4-methylphenyl)pyrrolidin-3-yl]cyclopropanecarboxamide
PubChem CID70733657
Molecular FormulaC21H24N2O3
Molecular Weight352.43 g/mol
Exact Mass352.18
IUPAC NameN-[(3S,4R)-1-(2-methylfuran-3-carbonyl)-4-(4-methylphenyl)pyrrolidin-3-yl]cyclopropanecarboxamide
SMILESCc1ccc([C@@H]2CN(C(=O)c3ccoc3C)C[C@H]2NC(=O)C2CC2)cc1
InChIInChI=1S/C21H24N2O3/c1-13-3-5-15(6-4-13)18-11-23(21(25)17-9-10-26-14(17)2)12-19(18)22-20(24)16-7-8-16/h3-6,9-10,16,18-19H,7-8,11-12H2,1-2H3,(H,22,24)/t18-,19+/m0/s1
InChIKeyIWBFYGVQHSVGHV-RBUKOAKNSA-N
XLogP3.03
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(3S,4R)-1-(2-methylfuran-3-carbonyl)-4-(4-methylphenyl)pyrrolidin-3-yl]cyclopropanecarboxamide 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-(2-methylfuran-3-carbonyl)-4-(4-methylphenyl)pyrrolidin-3-yl]cyclopropanecarboxamide?
The IUPAC name of N-[(3S,4R)-1-(2-methylfuran-3-carbonyl)-4-(4-methylphenyl)pyrrolidin-3-yl]cyclopropanecarboxamide (CID 70733657) is N-[(3S,4R)-1-(2-methylfuran-3-carbonyl)-4-(4-methylphenyl)pyrrolidin-3-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[(3S,4R)-1-(2-methylfuran-3-carbonyl)-4-(4-methylphenyl)pyrrolidin-3-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[(3S,4R)-1-(2-methylfuran-3-carbonyl)-4-(4-methylphenyl)pyrrolidin-3-yl]cyclopropanecarboxamide is Cc1ccc([C@@H]2CN(C(=O)c3ccoc3C)C[C@H]2NC(=O)C2CC2)cc1.
What is the InChIKey of N-[(3S,4R)-1-(2-methylfuran-3-carbonyl)-4-(4-methylphenyl)pyrrolidin-3-yl]cyclopropanecarboxamide?
The InChIKey is IWBFYGVQHSVGHV-RBUKOAKNSA-N. The full InChI is InChI=1S/C21H24N2O3/c1-13-3-5-15(6-4-13)18-11-23(21(25)17-9-10-26-14(17)2)12-19(18)22-20(24)16-7-8-16/h3-6,9-10,16,18-19H,7-8,11-12H2,1-2H3,(H,22,24)/t18-,19+/m0/s1.
What are the key properties of N-[(3S,4R)-1-(2-methylfuran-3-carbonyl)-4-(4-methylphenyl)pyrrolidin-3-yl]cyclopropanecarboxamide?
N-[(3S,4R)-1-(2-methylfuran-3-carbonyl)-4-(4-methylphenyl)pyrrolidin-3-yl]cyclopropanecarboxamide has a molecular weight of 352.43 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4R)-1-(2-methylfuran-3-carbonyl)-4-(4-methylphenyl)pyrrolidin-3-yl]cyclopropanecarboxamide is sourced from PubChem (CID 70733657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).