4-methoxy-N-(4-methylpentyl)pyrrolidine-2-carboxamide

C12H24N2O2 — CID 61215245

IUPAC4-methoxy-N-(4-methylpentyl)pyrrolidine-2-carboxamide
SMILESCOC1CNC(C(=O)NCCCC(C)C)C1
InChIInChI=1S/C12H24N2O2/c1-9(2)5-4-6-13-12(15)11-7-10(16-3)8-14-11/h9-11,14H,4-8H2,1-3H3,(H,13,15)
InChIKeyODQDISXGDULKPP-UHFFFAOYSA-N
MW228.34 g/mol
LogP0.92
Rot. Bonds6

About 4-methoxy-N-(4-methylpentyl)pyrrolidine-2-carboxamide

4-methoxy-N-(4-methylpentyl)pyrrolidine-2-carboxamide (PubChem CID 61215245) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 4-methoxy-N-(4-methylpentyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name4-methoxy-N-(4-methylpentyl)pyrrolidine-2-carboxamide
PubChem CID61215245
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name4-methoxy-N-(4-methylpentyl)pyrrolidine-2-carboxamide
SMILESCOC1CNC(C(=O)NCCCC(C)C)C1
InChIInChI=1S/C12H24N2O2/c1-9(2)5-4-6-13-12(15)11-7-10(16-3)8-14-11/h9-11,14H,4-8H2,1-3H3,(H,13,15)
InChIKeyODQDISXGDULKPP-UHFFFAOYSA-N
XLogP0.92
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-methoxy-N-(6-methylheptan-2-yl)pyrrolidine-2-carboxamide
CID 61254446
4-hydroxy-N-(7-methyloctyl)pyrrolidine-2-carboxamide
CID 61275212
N-(2-hydroxy-4-methylpentyl)-4-methoxypyrrolidine-2-carboxamide
CID 103833245
2-[(4-methoxypyrrolidine-2-carbonyl)amino]ethyl carbamate
CID 83209217
N-[2-(2-hydroxyethoxy)ethyl]-4-methoxypyrrolidine-2-carboxamide
CID 61276211
4-methoxy-N-propan-2-ylpyrrolidine-2-carboxamide
CID 61213428
4-[(4-methoxypyrrolidine-2-carbonyl)amino]-3-methylbutanoic acid
CID 81072617
N-(2-cyclohexylethyl)-4-methoxypyrrolidine-2-carboxamide
CID 61215073
N-[1-(dimethylamino)-4-methylpentan-2-yl]-4-methoxypyrrolidine-2-carboxamide
CID 61215342
4-methoxy-N-(2-methylprop-2-enyl)pyrrolidine-2-carboxamide
CID 114617212
N-[2-(ethylsulfamoyl)ethyl]-4-methoxypyrrolidine-2-carboxamide
CID 103833077
4-methoxy-N-[3-(2-methylpiperidin-1-yl)propyl]pyrrolidine-2-carboxamide
CID 61214890

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-(4-methylpentyl)pyrrolidine-2-carboxamide?
The IUPAC name of 4-methoxy-N-(4-methylpentyl)pyrrolidine-2-carboxamide (CID 61215245) is 4-methoxy-N-(4-methylpentyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 4-methoxy-N-(4-methylpentyl)pyrrolidine-2-carboxamide?
The canonical SMILES for 4-methoxy-N-(4-methylpentyl)pyrrolidine-2-carboxamide is COC1CNC(C(=O)NCCCC(C)C)C1.
What is the InChIKey of 4-methoxy-N-(4-methylpentyl)pyrrolidine-2-carboxamide?
The InChIKey is ODQDISXGDULKPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-9(2)5-4-6-13-12(15)11-7-10(16-3)8-14-11/h9-11,14H,4-8H2,1-3H3,(H,13,15).
What are the key properties of 4-methoxy-N-(4-methylpentyl)pyrrolidine-2-carboxamide?
4-methoxy-N-(4-methylpentyl)pyrrolidine-2-carboxamide has a molecular weight of 228.34 g/mol, XLogP of 0.92, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-(4-methylpentyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 61215245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).