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N-[1-(2-methoxyphenyl)propan-2-yl]-N-methylpyrrolidine-1-carboxamide

C16H24N2O2 — CID 115665268

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACN-[1-(2-methoxyphenyl)propan-2-yl]-N-methylpyrrolidine-1-carboxamide
SMILESCOc1ccccc1CC(C)N(C)C(=O)N1CCCC1
InChIInChI=1S/C16H24N2O2/c1-13(12-14-8-4-5-9-15(14)20-3)17(2)16(19)18-10-6-7-11-18/h4-5,8-9,13H,6-7,10-12H2,1-3H3
InChIKeyHBWNYMRUSUETQW-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.77
Rot. Bonds4

About N-[1-(2-methoxyphenyl)propan-2-yl]-N-methylpyrrolidine-1-carboxamide

N-[1-(2-methoxyphenyl)propan-2-yl]-N-methylpyrrolidine-1-carboxamide (PubChem CID 115665268) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is N-[1-(2-methoxyphenyl)propan-2-yl]-N-methylpyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-[1-(2-methoxyphenyl)propan-2-yl]-N-methylpyrrolidine-1-carboxamide
PubChem CID115665268
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC NameN-[1-(2-methoxyphenyl)propan-2-yl]-N-methylpyrrolidine-1-carboxamide
SMILESCOc1ccccc1CC(C)N(C)C(=O)N1CCCC1
InChIInChI=1S/C16H24N2O2/c1-13(12-14-8-4-5-9-15(14)20-3)17(2)16(19)18-10-6-7-11-18/h4-5,8-9,13H,6-7,10-12H2,1-3H3
InChIKeyHBWNYMRUSUETQW-UHFFFAOYSA-N
XLogP2.77
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methoxyphenyl)propan-2-yl]-N-methylpyrrolidine-1-carboxamide?
The IUPAC name of N-[1-(2-methoxyphenyl)propan-2-yl]-N-methylpyrrolidine-1-carboxamide (CID 115665268) is N-[1-(2-methoxyphenyl)propan-2-yl]-N-methylpyrrolidine-1-carboxamide.
What is the SMILES notation for N-[1-(2-methoxyphenyl)propan-2-yl]-N-methylpyrrolidine-1-carboxamide?
The canonical SMILES for N-[1-(2-methoxyphenyl)propan-2-yl]-N-methylpyrrolidine-1-carboxamide is COc1ccccc1CC(C)N(C)C(=O)N1CCCC1.
What is the InChIKey of N-[1-(2-methoxyphenyl)propan-2-yl]-N-methylpyrrolidine-1-carboxamide?
The InChIKey is HBWNYMRUSUETQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-13(12-14-8-4-5-9-15(14)20-3)17(2)16(19)18-10-6-7-11-18/h4-5,8-9,13H,6-7,10-12H2,1-3H3.
What are the key properties of N-[1-(2-methoxyphenyl)propan-2-yl]-N-methylpyrrolidine-1-carboxamide?
N-[1-(2-methoxyphenyl)propan-2-yl]-N-methylpyrrolidine-1-carboxamide has a molecular weight of 276.38 g/mol, XLogP of 2.77, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methoxyphenyl)propan-2-yl]-N-methylpyrrolidine-1-carboxamide is sourced from PubChem (CID 115665268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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