N,3-dimethyl-N-[1-(4-methylphenyl)ethyl]pyrrolidine-3-carboxamide

C16H24N2O — CID 63143794

IUPACN,3-dimethyl-N-[1-(4-methylphenyl)ethyl]pyrrolidine-3-carboxamide
SMILESCc1ccc(C(C)N(C)C(=O)C2(C)CCNC2)cc1
InChIInChI=1S/C16H24N2O/c1-12-5-7-14(8-6-12)13(2)18(4)15(19)16(3)9-10-17-11-16/h5-8,13,17H,9-11H2,1-4H3
InChIKeyARLHSZRUVLENIN-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.51
Rot. Bonds3

About N,3-dimethyl-N-[1-(4-methylphenyl)ethyl]pyrrolidine-3-carboxamide

N,3-dimethyl-N-[1-(4-methylphenyl)ethyl]pyrrolidine-3-carboxamide (PubChem CID 63143794) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is N,3-dimethyl-N-[1-(4-methylphenyl)ethyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN,3-dimethyl-N-[1-(4-methylphenyl)ethyl]pyrrolidine-3-carboxamide
PubChem CID63143794
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC NameN,3-dimethyl-N-[1-(4-methylphenyl)ethyl]pyrrolidine-3-carboxamide
SMILESCc1ccc(C(C)N(C)C(=O)C2(C)CCNC2)cc1
InChIInChI=1S/C16H24N2O/c1-12-5-7-14(8-6-12)13(2)18(4)15(19)16(3)9-10-17-11-16/h5-8,13,17H,9-11H2,1-4H3
InChIKeyARLHSZRUVLENIN-UHFFFAOYSA-N
XLogP2.51
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-N-[1-(4-methylphenyl)ethyl]pyrrolidine-3-carboxamide?
The IUPAC name of N,3-dimethyl-N-[1-(4-methylphenyl)ethyl]pyrrolidine-3-carboxamide (CID 63143794) is N,3-dimethyl-N-[1-(4-methylphenyl)ethyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for N,3-dimethyl-N-[1-(4-methylphenyl)ethyl]pyrrolidine-3-carboxamide?
The canonical SMILES for N,3-dimethyl-N-[1-(4-methylphenyl)ethyl]pyrrolidine-3-carboxamide is Cc1ccc(C(C)N(C)C(=O)C2(C)CCNC2)cc1.
What is the InChIKey of N,3-dimethyl-N-[1-(4-methylphenyl)ethyl]pyrrolidine-3-carboxamide?
The InChIKey is ARLHSZRUVLENIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-12-5-7-14(8-6-12)13(2)18(4)15(19)16(3)9-10-17-11-16/h5-8,13,17H,9-11H2,1-4H3.
What are the key properties of N,3-dimethyl-N-[1-(4-methylphenyl)ethyl]pyrrolidine-3-carboxamide?
N,3-dimethyl-N-[1-(4-methylphenyl)ethyl]pyrrolidine-3-carboxamide has a molecular weight of 260.38 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-N-[1-(4-methylphenyl)ethyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 63143794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).