3-methyl-N-(3-propoxypropyl)pyrrolidine-2-carboxamide

C12H24N2O2 — CID 102779934

IUPAC3-methyl-N-(3-propoxypropyl)pyrrolidine-2-carboxamide
SMILESCCCOCCCNC(=O)C1NCCC1C
InChIInChI=1S/C12H24N2O2/c1-3-8-16-9-4-6-14-12(15)11-10(2)5-7-13-11/h10-11,13H,3-9H2,1-2H3,(H,14,15)
InChIKeyGVHABDHWVDYEJI-UHFFFAOYSA-N
MW228.34 g/mol
LogP0.92
Rot. Bonds7

About 3-methyl-N-(3-propoxypropyl)pyrrolidine-2-carboxamide

3-methyl-N-(3-propoxypropyl)pyrrolidine-2-carboxamide (PubChem CID 102779934) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 3-methyl-N-(3-propoxypropyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name3-methyl-N-(3-propoxypropyl)pyrrolidine-2-carboxamide
PubChem CID102779934
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name3-methyl-N-(3-propoxypropyl)pyrrolidine-2-carboxamide
SMILESCCCOCCCNC(=O)C1NCCC1C
InChIInChI=1S/C12H24N2O2/c1-3-8-16-9-4-6-14-12(15)11-10(2)5-7-13-11/h10-11,13H,3-9H2,1-2H3,(H,14,15)
InChIKeyGVHABDHWVDYEJI-UHFFFAOYSA-N
XLogP0.92
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
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

3-methyl-N-pentylpyrrolidine-2-carboxamide
CID 102776846
3-methyl-N-[3-(oxolan-2-ylmethoxy)propyl]pyrrolidine-2-carboxamide
CID 102779077
3-methyl-N-(4-propan-2-yloxybutyl)pyrrolidine-2-carboxamide
CID 106011258
N-(4-amino-4-oxobutyl)-3-methylpyrrolidine-2-carboxamide
CID 102778285
N-[2-(ethylamino)-2-oxoethyl]-3-methylpyrrolidine-2-carboxamide
CID 102777393
3-methyl-N-(3-methylsulfonylpropyl)pyrrolidine-2-carboxamide
CID 102778900
2-methyl-5-[(3-methylpyrrolidine-2-carbonyl)amino]pentanoic acid
CID 102780024
N-(2-cyclobutylethyl)-3-methylpyrrolidine-2-carboxamide
CID 102780059
N-(cyclobutylmethyl)-3-methylpyrrolidine-2-carboxamide
CID 102777267
N-[2-(dimethylsulfamoyl)ethyl]-3-methylpyrrolidine-2-carboxamide
CID 106337275
5-[(3-methylpiperidine-2-carbonyl)amino]pentanoic acid
CID 107068216
N-[3-(dimethylamino)propyl]-3-methylpiperidine-2-carboxamide
CID 62338925

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(3-propoxypropyl)pyrrolidine-2-carboxamide?
The IUPAC name of 3-methyl-N-(3-propoxypropyl)pyrrolidine-2-carboxamide (CID 102779934) is 3-methyl-N-(3-propoxypropyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 3-methyl-N-(3-propoxypropyl)pyrrolidine-2-carboxamide?
The canonical SMILES for 3-methyl-N-(3-propoxypropyl)pyrrolidine-2-carboxamide is CCCOCCCNC(=O)C1NCCC1C.
What is the InChIKey of 3-methyl-N-(3-propoxypropyl)pyrrolidine-2-carboxamide?
The InChIKey is GVHABDHWVDYEJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-3-8-16-9-4-6-14-12(15)11-10(2)5-7-13-11/h10-11,13H,3-9H2,1-2H3,(H,14,15).
What are the key properties of 3-methyl-N-(3-propoxypropyl)pyrrolidine-2-carboxamide?
3-methyl-N-(3-propoxypropyl)pyrrolidine-2-carboxamide has a molecular weight of 228.34 g/mol, XLogP of 0.92, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(3-propoxypropyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 102779934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).