N-(2,6-dimethylphenyl)-2-pyrrolidin-1-ylpropanamide

C15H22N2O — CID 2795841

IUPACN-(2,6-dimethylphenyl)-2-pyrrolidin-1-ylpropanamide
SMILESCc1cccc(C)c1NC(=O)C(C)N1CCCC1
InChIInChI=1S/C15H22N2O/c1-11-7-6-8-12(2)14(11)16-15(18)13(3)17-9-4-5-10-17/h6-8,13H,4-5,9-10H2,1-3H3,(H,16,18)
InChIKeyMGBIINXEYXQNSC-UHFFFAOYSA-N
MW246.35 g/mol
LogP2.73
Rot. Bonds3

About N-(2,6-dimethylphenyl)-2-pyrrolidin-1-ylpropanamide

N-(2,6-dimethylphenyl)-2-pyrrolidin-1-ylpropanamide (PubChem CID 2795841) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-2-pyrrolidin-1-ylpropanamide.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-2-pyrrolidin-1-ylpropanamide
PubChem CID2795841
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC NameN-(2,6-dimethylphenyl)-2-pyrrolidin-1-ylpropanamide
SMILESCc1cccc(C)c1NC(=O)C(C)N1CCCC1
InChIInChI=1S/C15H22N2O/c1-11-7-6-8-12(2)14(11)16-15(18)13(3)17-9-4-5-10-17/h6-8,13H,4-5,9-10H2,1-3H3,(H,16,18)
InChIKeyMGBIINXEYXQNSC-UHFFFAOYSA-N
XLogP2.73
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-2-pyrrolidin-1-ylpropanamide?
The IUPAC name of N-(2,6-dimethylphenyl)-2-pyrrolidin-1-ylpropanamide (CID 2795841) is N-(2,6-dimethylphenyl)-2-pyrrolidin-1-ylpropanamide.
What is the SMILES notation for N-(2,6-dimethylphenyl)-2-pyrrolidin-1-ylpropanamide?
The canonical SMILES for N-(2,6-dimethylphenyl)-2-pyrrolidin-1-ylpropanamide is Cc1cccc(C)c1NC(=O)C(C)N1CCCC1.
What is the InChIKey of N-(2,6-dimethylphenyl)-2-pyrrolidin-1-ylpropanamide?
The InChIKey is MGBIINXEYXQNSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-11-7-6-8-12(2)14(11)16-15(18)13(3)17-9-4-5-10-17/h6-8,13H,4-5,9-10H2,1-3H3,(H,16,18).
What are the key properties of N-(2,6-dimethylphenyl)-2-pyrrolidin-1-ylpropanamide?
N-(2,6-dimethylphenyl)-2-pyrrolidin-1-ylpropanamide has a molecular weight of 246.35 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylphenyl)-2-pyrrolidin-1-ylpropanamide is sourced from PubChem (CID 2795841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).