N-[(4-ethylphenyl)methyl]-3-propan-2-ylpyrrolidine-3-carboxamide

C17H26N2O — CID 106981418

IUPACN-[(4-ethylphenyl)methyl]-3-propan-2-ylpyrrolidine-3-carboxamide
SMILESCCc1ccc(CNC(=O)C2(C(C)C)CCNC2)cc1
InChIInChI=1S/C17H26N2O/c1-4-14-5-7-15(8-6-14)11-19-16(20)17(13(2)3)9-10-18-12-17/h5-8,13,18H,4,9-12H2,1-3H3,(H,19,20)
InChIKeyROCCLDIIOCBIEB-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.50
Rot. Bonds5

About N-[(4-ethylphenyl)methyl]-3-propan-2-ylpyrrolidine-3-carboxamide

N-[(4-ethylphenyl)methyl]-3-propan-2-ylpyrrolidine-3-carboxamide (PubChem CID 106981418) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is N-[(4-ethylphenyl)methyl]-3-propan-2-ylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[(4-ethylphenyl)methyl]-3-propan-2-ylpyrrolidine-3-carboxamide
PubChem CID106981418
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC NameN-[(4-ethylphenyl)methyl]-3-propan-2-ylpyrrolidine-3-carboxamide
SMILESCCc1ccc(CNC(=O)C2(C(C)C)CCNC2)cc1
InChIInChI=1S/C17H26N2O/c1-4-14-5-7-15(8-6-14)11-19-16(20)17(13(2)3)9-10-18-12-17/h5-8,13,18H,4,9-12H2,1-3H3,(H,19,20)
InChIKeyROCCLDIIOCBIEB-UHFFFAOYSA-N
XLogP2.50
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-[(4-ethylphenyl)methyl]-3-propan-2-ylpyrrolidine-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 N-[(4-ethylphenyl)methyl]-3-propan-2-ylpyrrolidine-3-carboxamide?
The IUPAC name of N-[(4-ethylphenyl)methyl]-3-propan-2-ylpyrrolidine-3-carboxamide (CID 106981418) is N-[(4-ethylphenyl)methyl]-3-propan-2-ylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-[(4-ethylphenyl)methyl]-3-propan-2-ylpyrrolidine-3-carboxamide?
The canonical SMILES for N-[(4-ethylphenyl)methyl]-3-propan-2-ylpyrrolidine-3-carboxamide is CCc1ccc(CNC(=O)C2(C(C)C)CCNC2)cc1.
What is the InChIKey of N-[(4-ethylphenyl)methyl]-3-propan-2-ylpyrrolidine-3-carboxamide?
The InChIKey is ROCCLDIIOCBIEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-4-14-5-7-15(8-6-14)11-19-16(20)17(13(2)3)9-10-18-12-17/h5-8,13,18H,4,9-12H2,1-3H3,(H,19,20).
What are the key properties of N-[(4-ethylphenyl)methyl]-3-propan-2-ylpyrrolidine-3-carboxamide?
N-[(4-ethylphenyl)methyl]-3-propan-2-ylpyrrolidine-3-carboxamide has a molecular weight of 274.41 g/mol, XLogP of 2.50, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethylphenyl)methyl]-3-propan-2-ylpyrrolidine-3-carboxamide is sourced from PubChem (CID 106981418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).