2-methyl-N-phenylmethoxy-2-pyrrolidin-1-ylpropanamide

C15H22N2O2 — CID 154721633

IUPAC2-methyl-N-phenylmethoxy-2-pyrrolidin-1-ylpropanamide
SMILESCC(C)(C(=O)NOCc1ccccc1)N1CCCC1
InChIInChI=1S/C15H22N2O2/c1-15(2,17-10-6-7-11-17)14(18)16-19-12-13-8-4-3-5-9-13/h3-5,8-9H,6-7,10-12H2,1-2H3,(H,16,18)
InChIKeyHFHBXJXTSAEPJV-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.11
Rot. Bonds5

About 2-methyl-N-phenylmethoxy-2-pyrrolidin-1-ylpropanamide

2-methyl-N-phenylmethoxy-2-pyrrolidin-1-ylpropanamide (PubChem CID 154721633) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 2-methyl-N-phenylmethoxy-2-pyrrolidin-1-ylpropanamide.

Molecular Properties

Compound Name2-methyl-N-phenylmethoxy-2-pyrrolidin-1-ylpropanamide
PubChem CID154721633
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name2-methyl-N-phenylmethoxy-2-pyrrolidin-1-ylpropanamide
SMILESCC(C)(C(=O)NOCc1ccccc1)N1CCCC1
InChIInChI=1S/C15H22N2O2/c1-15(2,17-10-6-7-11-17)14(18)16-19-12-13-8-4-3-5-9-13/h3-5,8-9H,6-7,10-12H2,1-2H3,(H,16,18)
InChIKeyHFHBXJXTSAEPJV-UHFFFAOYSA-N
XLogP2.11
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 ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-phenylmethoxy-2-pyrrolidin-1-ylpropanamide?
The IUPAC name of 2-methyl-N-phenylmethoxy-2-pyrrolidin-1-ylpropanamide (CID 154721633) is 2-methyl-N-phenylmethoxy-2-pyrrolidin-1-ylpropanamide.
What is the SMILES notation for 2-methyl-N-phenylmethoxy-2-pyrrolidin-1-ylpropanamide?
The canonical SMILES for 2-methyl-N-phenylmethoxy-2-pyrrolidin-1-ylpropanamide is CC(C)(C(=O)NOCc1ccccc1)N1CCCC1.
What is the InChIKey of 2-methyl-N-phenylmethoxy-2-pyrrolidin-1-ylpropanamide?
The InChIKey is HFHBXJXTSAEPJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-15(2,17-10-6-7-11-17)14(18)16-19-12-13-8-4-3-5-9-13/h3-5,8-9H,6-7,10-12H2,1-2H3,(H,16,18).
What are the key properties of 2-methyl-N-phenylmethoxy-2-pyrrolidin-1-ylpropanamide?
2-methyl-N-phenylmethoxy-2-pyrrolidin-1-ylpropanamide has a molecular weight of 262.35 g/mol, XLogP of 2.11, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-phenylmethoxy-2-pyrrolidin-1-ylpropanamide is sourced from PubChem (CID 154721633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).