N,2-dimethyl-N-(4-methylphenyl)pyrrolidine-3-carboxamide

C14H20N2O — CID 79388643

IUPACN,2-dimethyl-N-(4-methylphenyl)pyrrolidine-3-carboxamide
SMILESCc1ccc(N(C)C(=O)C2CCNC2C)cc1
InChIInChI=1S/C14H20N2O/c1-10-4-6-12(7-5-10)16(3)14(17)13-8-9-15-11(13)2/h4-7,11,13,15H,8-9H2,1-3H3
InChIKeySYCXTQPNGMXCMD-UHFFFAOYSA-N
MW232.33 g/mol
LogP1.96
Rot. Bonds2

About N,2-dimethyl-N-(4-methylphenyl)pyrrolidine-3-carboxamide

N,2-dimethyl-N-(4-methylphenyl)pyrrolidine-3-carboxamide (PubChem CID 79388643) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is N,2-dimethyl-N-(4-methylphenyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN,2-dimethyl-N-(4-methylphenyl)pyrrolidine-3-carboxamide
PubChem CID79388643
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC NameN,2-dimethyl-N-(4-methylphenyl)pyrrolidine-3-carboxamide
SMILESCc1ccc(N(C)C(=O)C2CCNC2C)cc1
InChIInChI=1S/C14H20N2O/c1-10-4-6-12(7-5-10)16(3)14(17)13-8-9-15-11(13)2/h4-7,11,13,15H,8-9H2,1-3H3
InChIKeySYCXTQPNGMXCMD-UHFFFAOYSA-N
XLogP1.96
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-N-(4-methylphenyl)pyrrolidine-3-carboxamide?
The IUPAC name of N,2-dimethyl-N-(4-methylphenyl)pyrrolidine-3-carboxamide (CID 79388643) is N,2-dimethyl-N-(4-methylphenyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N,2-dimethyl-N-(4-methylphenyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N,2-dimethyl-N-(4-methylphenyl)pyrrolidine-3-carboxamide is Cc1ccc(N(C)C(=O)C2CCNC2C)cc1.
What is the InChIKey of N,2-dimethyl-N-(4-methylphenyl)pyrrolidine-3-carboxamide?
The InChIKey is SYCXTQPNGMXCMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-10-4-6-12(7-5-10)16(3)14(17)13-8-9-15-11(13)2/h4-7,11,13,15H,8-9H2,1-3H3.
What are the key properties of N,2-dimethyl-N-(4-methylphenyl)pyrrolidine-3-carboxamide?
N,2-dimethyl-N-(4-methylphenyl)pyrrolidine-3-carboxamide has a molecular weight of 232.33 g/mol, XLogP of 1.96, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-N-(4-methylphenyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 79388643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).