4-(2-methylphenyl)-1-(2-methylpropanoyl)-N-(2-methylpropyl)pyrrolidine-3-carboxamide

C20H30N2O2 — CID 42681071

IUPAC4-(2-methylphenyl)-1-(2-methylpropanoyl)-N-(2-methylpropyl)pyrrolidine-3-carboxamide
SMILESCc1ccccc1C1CN(C(=O)C(C)C)CC1C(=O)NCC(C)C
InChIInChI=1S/C20H30N2O2/c1-13(2)10-21-19(23)18-12-22(20(24)14(3)4)11-17(18)16-9-7-6-8-15(16)5/h6-9,13-14,17-18H,10-12H2,1-5H3,(H,21,23)
InChIKeyBOOXNXDSPJZLQW-UHFFFAOYSA-N
MW330.47 g/mol
LogP2.97
Rot. Bonds5

About 4-(2-methylphenyl)-1-(2-methylpropanoyl)-N-(2-methylpropyl)pyrrolidine-3-carboxamide

4-(2-methylphenyl)-1-(2-methylpropanoyl)-N-(2-methylpropyl)pyrrolidine-3-carboxamide (PubChem CID 42681071) has the molecular formula C20H30N2O2 and a molecular weight of 330.47 g/mol. Its IUPAC name is 4-(2-methylphenyl)-1-(2-methylpropanoyl)-N-(2-methylpropyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name4-(2-methylphenyl)-1-(2-methylpropanoyl)-N-(2-methylpropyl)pyrrolidine-3-carboxamide
PubChem CID42681071
Molecular FormulaC20H30N2O2
Molecular Weight330.47 g/mol
Exact Mass330.23
IUPAC Name4-(2-methylphenyl)-1-(2-methylpropanoyl)-N-(2-methylpropyl)pyrrolidine-3-carboxamide
SMILESCc1ccccc1C1CN(C(=O)C(C)C)CC1C(=O)NCC(C)C
InChIInChI=1S/C20H30N2O2/c1-13(2)10-21-19(23)18-12-22(20(24)14(3)4)11-17(18)16-9-7-6-8-15(16)5/h6-9,13-14,17-18H,10-12H2,1-5H3,(H,21,23)
InChIKeyBOOXNXDSPJZLQW-UHFFFAOYSA-N
XLogP2.97
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.47
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-(2-methylphenyl)-1-(2-methylpropanoyl)-N-(2-methylpropyl)pyrrolidine-3-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 4-(2-methylphenyl)-1-(2-methylpropanoyl)-N-(2-methylpropyl)pyrrolidine-3-carboxamide?
The IUPAC name of 4-(2-methylphenyl)-1-(2-methylpropanoyl)-N-(2-methylpropyl)pyrrolidine-3-carboxamide (CID 42681071) is 4-(2-methylphenyl)-1-(2-methylpropanoyl)-N-(2-methylpropyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 4-(2-methylphenyl)-1-(2-methylpropanoyl)-N-(2-methylpropyl)pyrrolidine-3-carboxamide?
The canonical SMILES for 4-(2-methylphenyl)-1-(2-methylpropanoyl)-N-(2-methylpropyl)pyrrolidine-3-carboxamide is Cc1ccccc1C1CN(C(=O)C(C)C)CC1C(=O)NCC(C)C.
What is the InChIKey of 4-(2-methylphenyl)-1-(2-methylpropanoyl)-N-(2-methylpropyl)pyrrolidine-3-carboxamide?
The InChIKey is BOOXNXDSPJZLQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O2/c1-13(2)10-21-19(23)18-12-22(20(24)14(3)4)11-17(18)16-9-7-6-8-15(16)5/h6-9,13-14,17-18H,10-12H2,1-5H3,(H,21,23).
What are the key properties of 4-(2-methylphenyl)-1-(2-methylpropanoyl)-N-(2-methylpropyl)pyrrolidine-3-carboxamide?
4-(2-methylphenyl)-1-(2-methylpropanoyl)-N-(2-methylpropyl)pyrrolidine-3-carboxamide has a molecular weight of 330.47 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylphenyl)-1-(2-methylpropanoyl)-N-(2-methylpropyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 42681071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).