N-methyl-N-[2-methyl-2-(4-methylphenyl)propyl]pyrrolidine-3-carboxamide

C17H26N2O — CID 119805938

IUPACN-methyl-N-[2-methyl-2-(4-methylphenyl)propyl]pyrrolidine-3-carboxamide
SMILESCc1ccc(C(C)(C)CN(C)C(=O)C2CCNC2)cc1
InChIInChI=1S/C17H26N2O/c1-13-5-7-15(8-6-13)17(2,3)12-19(4)16(20)14-9-10-18-11-14/h5-8,14,18H,9-12H2,1-4H3
InChIKeyUSLBTHFVVBESPM-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.34
Rot. Bonds4

About N-methyl-N-[2-methyl-2-(4-methylphenyl)propyl]pyrrolidine-3-carboxamide

N-methyl-N-[2-methyl-2-(4-methylphenyl)propyl]pyrrolidine-3-carboxamide (PubChem CID 119805938) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is N-methyl-N-[2-methyl-2-(4-methylphenyl)propyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[2-methyl-2-(4-methylphenyl)propyl]pyrrolidine-3-carboxamide
PubChem CID119805938
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC NameN-methyl-N-[2-methyl-2-(4-methylphenyl)propyl]pyrrolidine-3-carboxamide
SMILESCc1ccc(C(C)(C)CN(C)C(=O)C2CCNC2)cc1
InChIInChI=1S/C17H26N2O/c1-13-5-7-15(8-6-13)17(2,3)12-19(4)16(20)14-9-10-18-11-14/h5-8,14,18H,9-12H2,1-4H3
InChIKeyUSLBTHFVVBESPM-UHFFFAOYSA-N
XLogP2.34
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-methyl-2-(4-methylphenyl)propyl]pyrrolidine-3-carboxamide?
The IUPAC name of N-methyl-N-[2-methyl-2-(4-methylphenyl)propyl]pyrrolidine-3-carboxamide (CID 119805938) is N-methyl-N-[2-methyl-2-(4-methylphenyl)propyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for N-methyl-N-[2-methyl-2-(4-methylphenyl)propyl]pyrrolidine-3-carboxamide?
The canonical SMILES for N-methyl-N-[2-methyl-2-(4-methylphenyl)propyl]pyrrolidine-3-carboxamide is Cc1ccc(C(C)(C)CN(C)C(=O)C2CCNC2)cc1.
What is the InChIKey of N-methyl-N-[2-methyl-2-(4-methylphenyl)propyl]pyrrolidine-3-carboxamide?
The InChIKey is USLBTHFVVBESPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-13-5-7-15(8-6-13)17(2,3)12-19(4)16(20)14-9-10-18-11-14/h5-8,14,18H,9-12H2,1-4H3.
What are the key properties of N-methyl-N-[2-methyl-2-(4-methylphenyl)propyl]pyrrolidine-3-carboxamide?
N-methyl-N-[2-methyl-2-(4-methylphenyl)propyl]pyrrolidine-3-carboxamide has a molecular weight of 274.41 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-methyl-2-(4-methylphenyl)propyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 119805938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).