N-(2-methoxy-5-methylphenyl)-3-pyrrolidin-1-ylpropanamide

C15H22N2O2 — CID 771481

IUPACN-(2-methoxy-5-methylphenyl)-3-pyrrolidin-1-ylpropanamide
SMILESCOc1ccc(C)cc1NC(=O)CCN1CCCC1
InChIInChI=1S/C15H22N2O2/c1-12-5-6-14(19-2)13(11-12)16-15(18)7-10-17-8-3-4-9-17/h5-6,11H,3-4,7-10H2,1-2H3,(H,16,18)
InChIKeyOTYKJLMBSZYJOA-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.43
Rot. Bonds5

About N-(2-methoxy-5-methylphenyl)-3-pyrrolidin-1-ylpropanamide

N-(2-methoxy-5-methylphenyl)-3-pyrrolidin-1-ylpropanamide (PubChem CID 771481) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is N-(2-methoxy-5-methylphenyl)-3-pyrrolidin-1-ylpropanamide.

Molecular Properties

Compound NameN-(2-methoxy-5-methylphenyl)-3-pyrrolidin-1-ylpropanamide
PubChem CID771481
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC NameN-(2-methoxy-5-methylphenyl)-3-pyrrolidin-1-ylpropanamide
SMILESCOc1ccc(C)cc1NC(=O)CCN1CCCC1
InChIInChI=1S/C15H22N2O2/c1-12-5-6-14(19-2)13(11-12)16-15(18)7-10-17-8-3-4-9-17/h5-6,11H,3-4,7-10H2,1-2H3,(H,16,18)
InChIKeyOTYKJLMBSZYJOA-UHFFFAOYSA-N
XLogP2.43
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-5-methylphenyl)-3-pyrrolidin-1-ylpropanamide?
The IUPAC name of N-(2-methoxy-5-methylphenyl)-3-pyrrolidin-1-ylpropanamide (CID 771481) is N-(2-methoxy-5-methylphenyl)-3-pyrrolidin-1-ylpropanamide.
What is the SMILES notation for N-(2-methoxy-5-methylphenyl)-3-pyrrolidin-1-ylpropanamide?
The canonical SMILES for N-(2-methoxy-5-methylphenyl)-3-pyrrolidin-1-ylpropanamide is COc1ccc(C)cc1NC(=O)CCN1CCCC1.
What is the InChIKey of N-(2-methoxy-5-methylphenyl)-3-pyrrolidin-1-ylpropanamide?
The InChIKey is OTYKJLMBSZYJOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-12-5-6-14(19-2)13(11-12)16-15(18)7-10-17-8-3-4-9-17/h5-6,11H,3-4,7-10H2,1-2H3,(H,16,18).
What are the key properties of N-(2-methoxy-5-methylphenyl)-3-pyrrolidin-1-ylpropanamide?
N-(2-methoxy-5-methylphenyl)-3-pyrrolidin-1-ylpropanamide has a molecular weight of 262.35 g/mol, XLogP of 2.43, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-5-methylphenyl)-3-pyrrolidin-1-ylpropanamide is sourced from PubChem (CID 771481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).