N-[3-methyl-4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]oxolane-2-carboxamide

C21H31N3O2 — CID 72547466

IUPACN-[3-methyl-4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]oxolane-2-carboxamide
SMILESCc1cc(NC(=O)C2CCCO2)ccc1N1CCC(N2CCCC2C)C1
InChIInChI=1S/C21H31N3O2/c1-15-13-17(22-21(25)20-6-4-12-26-20)7-8-19(15)23-11-9-18(14-23)24-10-3-5-16(24)2/h7-8,13,16,18,20H,3-6,9-12,14H2,1-2H3,(H,22,25)
InChIKeyGPSCHCFBKYKZKJ-UHFFFAOYSA-N
MW357.50 g/mol
LogP3.18
Rot. Bonds4

About N-[3-methyl-4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]oxolane-2-carboxamide

N-[3-methyl-4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]oxolane-2-carboxamide (PubChem CID 72547466) has the molecular formula C21H31N3O2 and a molecular weight of 357.50 g/mol. Its IUPAC name is N-[3-methyl-4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]oxolane-2-carboxamide.

Molecular Properties

Compound NameN-[3-methyl-4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]oxolane-2-carboxamide
PubChem CID72547466
Molecular FormulaC21H31N3O2
Molecular Weight357.50 g/mol
Exact Mass357.24
IUPAC NameN-[3-methyl-4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]oxolane-2-carboxamide
SMILESCc1cc(NC(=O)C2CCCO2)ccc1N1CCC(N2CCCC2C)C1
InChIInChI=1S/C21H31N3O2/c1-15-13-17(22-21(25)20-6-4-12-26-20)7-8-19(15)23-11-9-18(14-23)24-10-3-5-16(24)2/h7-8,13,16,18,20H,3-6,9-12,14H2,1-2H3,(H,22,25)
InChIKeyGPSCHCFBKYKZKJ-UHFFFAOYSA-N
XLogP3.18
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.50
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze N-[3-methyl-4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]oxolane-2-carboxamide 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-[3-methyl-4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]oxolane-2-carboxamide?
The IUPAC name of N-[3-methyl-4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]oxolane-2-carboxamide (CID 72547466) is N-[3-methyl-4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]oxolane-2-carboxamide.
What is the SMILES notation for N-[3-methyl-4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]oxolane-2-carboxamide?
The canonical SMILES for N-[3-methyl-4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]oxolane-2-carboxamide is Cc1cc(NC(=O)C2CCCO2)ccc1N1CCC(N2CCCC2C)C1.
What is the InChIKey of N-[3-methyl-4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]oxolane-2-carboxamide?
The InChIKey is GPSCHCFBKYKZKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N3O2/c1-15-13-17(22-21(25)20-6-4-12-26-20)7-8-19(15)23-11-9-18(14-23)24-10-3-5-16(24)2/h7-8,13,16,18,20H,3-6,9-12,14H2,1-2H3,(H,22,25).
What are the key properties of N-[3-methyl-4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]oxolane-2-carboxamide?
N-[3-methyl-4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]oxolane-2-carboxamide has a molecular weight of 357.50 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methyl-4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]oxolane-2-carboxamide is sourced from PubChem (CID 72547466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).