N-(3,5-dimethylphenyl)-3-pyrrolidin-1-ylpropanamide

C15H22N2O — CID 740669

IUPACN-(3,5-dimethylphenyl)-3-pyrrolidin-1-ylpropanamide
SMILESCc1cc(C)cc(NC(=O)CCN2CCCC2)c1
InChIInChI=1S/C15H22N2O/c1-12-9-13(2)11-14(10-12)16-15(18)5-8-17-6-3-4-7-17/h9-11H,3-8H2,1-2H3,(H,16,18)
InChIKeyDOCALGAWDLALGI-UHFFFAOYSA-N
MW246.35 g/mol
LogP2.73
Rot. Bonds4

About N-(3,5-dimethylphenyl)-3-pyrrolidin-1-ylpropanamide

N-(3,5-dimethylphenyl)-3-pyrrolidin-1-ylpropanamide (PubChem CID 740669) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is N-(3,5-dimethylphenyl)-3-pyrrolidin-1-ylpropanamide.

Molecular Properties

Compound NameN-(3,5-dimethylphenyl)-3-pyrrolidin-1-ylpropanamide
PubChem CID740669
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC NameN-(3,5-dimethylphenyl)-3-pyrrolidin-1-ylpropanamide
SMILESCc1cc(C)cc(NC(=O)CCN2CCCC2)c1
InChIInChI=1S/C15H22N2O/c1-12-9-13(2)11-14(10-12)16-15(18)5-8-17-6-3-4-7-17/h9-11H,3-8H2,1-2H3,(H,16,18)
InChIKeyDOCALGAWDLALGI-UHFFFAOYSA-N
XLogP2.73
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
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-(3,5-dimethylphenyl)-3-pyrrolidin-1-ylpropanamide?
The IUPAC name of N-(3,5-dimethylphenyl)-3-pyrrolidin-1-ylpropanamide (CID 740669) is N-(3,5-dimethylphenyl)-3-pyrrolidin-1-ylpropanamide.
What is the SMILES notation for N-(3,5-dimethylphenyl)-3-pyrrolidin-1-ylpropanamide?
The canonical SMILES for N-(3,5-dimethylphenyl)-3-pyrrolidin-1-ylpropanamide is Cc1cc(C)cc(NC(=O)CCN2CCCC2)c1.
What is the InChIKey of N-(3,5-dimethylphenyl)-3-pyrrolidin-1-ylpropanamide?
The InChIKey is DOCALGAWDLALGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-12-9-13(2)11-14(10-12)16-15(18)5-8-17-6-3-4-7-17/h9-11H,3-8H2,1-2H3,(H,16,18).
What are the key properties of N-(3,5-dimethylphenyl)-3-pyrrolidin-1-ylpropanamide?
N-(3,5-dimethylphenyl)-3-pyrrolidin-1-ylpropanamide has a molecular weight of 246.35 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethylphenyl)-3-pyrrolidin-1-ylpropanamide is sourced from PubChem (CID 740669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).