N-(2-methylphenyl)-3-pyrrolidin-1-ylpropanamide

C14H20N2O — CID 740008

IUPACN-(2-methylphenyl)-3-pyrrolidin-1-ylpropanamide
SMILESCc1ccccc1NC(=O)CCN1CCCC1
InChIInChI=1S/C14H20N2O/c1-12-6-2-3-7-13(12)15-14(17)8-11-16-9-4-5-10-16/h2-3,6-7H,4-5,8-11H2,1H3,(H,15,17)
InChIKeyRCJDLWXECMLHIS-UHFFFAOYSA-N
MW232.33 g/mol
LogP2.42
Rot. Bonds4

About N-(2-methylphenyl)-3-pyrrolidin-1-ylpropanamide

N-(2-methylphenyl)-3-pyrrolidin-1-ylpropanamide (PubChem CID 740008) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is N-(2-methylphenyl)-3-pyrrolidin-1-ylpropanamide.

Molecular Properties

Compound NameN-(2-methylphenyl)-3-pyrrolidin-1-ylpropanamide
PubChem CID740008
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC NameN-(2-methylphenyl)-3-pyrrolidin-1-ylpropanamide
SMILESCc1ccccc1NC(=O)CCN1CCCC1
InChIInChI=1S/C14H20N2O/c1-12-6-2-3-7-13(12)15-14(17)8-11-16-9-4-5-10-16/h2-3,6-7H,4-5,8-11H2,1H3,(H,15,17)
InChIKeyRCJDLWXECMLHIS-UHFFFAOYSA-N
XLogP2.42
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylphenyl)-3-pyrrolidin-1-ylpropanamide?
The IUPAC name of N-(2-methylphenyl)-3-pyrrolidin-1-ylpropanamide (CID 740008) is N-(2-methylphenyl)-3-pyrrolidin-1-ylpropanamide.
What is the SMILES notation for N-(2-methylphenyl)-3-pyrrolidin-1-ylpropanamide?
The canonical SMILES for N-(2-methylphenyl)-3-pyrrolidin-1-ylpropanamide is Cc1ccccc1NC(=O)CCN1CCCC1.
What is the InChIKey of N-(2-methylphenyl)-3-pyrrolidin-1-ylpropanamide?
The InChIKey is RCJDLWXECMLHIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-12-6-2-3-7-13(12)15-14(17)8-11-16-9-4-5-10-16/h2-3,6-7H,4-5,8-11H2,1H3,(H,15,17).
What are the key properties of N-(2-methylphenyl)-3-pyrrolidin-1-ylpropanamide?
N-(2-methylphenyl)-3-pyrrolidin-1-ylpropanamide has a molecular weight of 232.33 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylphenyl)-3-pyrrolidin-1-ylpropanamide is sourced from PubChem (CID 740008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).