3-methyl-N-(4-propan-2-yloxybutyl)pyrrolidine-2-carboxamide

C13H26N2O2 — CID 106011258

IUPAC3-methyl-N-(4-propan-2-yloxybutyl)pyrrolidine-2-carboxamide
SMILESCC(C)OCCCCNC(=O)C1NCCC1C
InChIInChI=1S/C13H26N2O2/c1-10(2)17-9-5-4-7-15-13(16)12-11(3)6-8-14-12/h10-12,14H,4-9H2,1-3H3,(H,15,16)
InChIKeyGHGGHZWEAVGWTH-UHFFFAOYSA-N
MW242.36 g/mol
LogP1.31
Rot. Bonds7

About 3-methyl-N-(4-propan-2-yloxybutyl)pyrrolidine-2-carboxamide

3-methyl-N-(4-propan-2-yloxybutyl)pyrrolidine-2-carboxamide (PubChem CID 106011258) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is 3-methyl-N-(4-propan-2-yloxybutyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name3-methyl-N-(4-propan-2-yloxybutyl)pyrrolidine-2-carboxamide
PubChem CID106011258
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Name3-methyl-N-(4-propan-2-yloxybutyl)pyrrolidine-2-carboxamide
SMILESCC(C)OCCCCNC(=O)C1NCCC1C
InChIInChI=1S/C13H26N2O2/c1-10(2)17-9-5-4-7-15-13(16)12-11(3)6-8-14-12/h10-12,14H,4-9H2,1-3H3,(H,15,16)
InChIKeyGHGGHZWEAVGWTH-UHFFFAOYSA-N
XLogP1.31
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 51.31
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-propoxypropyl)pyrrolidine-2-carboxamide
CID 102779934
2-methyl-5-[(3-methylpyrrolidine-2-carbonyl)amino]pentanoic acid
CID 102780024
2-methyl-N-(4-propan-2-yloxybutyl)piperidine-3-carboxamide
CID 114137522
N-(4-amino-4-oxobutyl)-3-methylpyrrolidine-2-carboxamide
CID 102778285
(3S,4S)-4-methyl-N-(4-propan-2-yloxybutyl)pyrrolidine-3-carboxamide
CID 114137023
3-methyl-N-(3-methylsulfonylpropyl)pyrrolidine-2-carboxamide
CID 102778900
3-methyl-N-[3-(oxolan-2-ylmethoxy)propyl]pyrrolidine-2-carboxamide
CID 102779077
4-amino-N-(4-propan-2-yloxybutyl)cyclohexane-1-carboxamide
CID 114137006
N-(2-cyclobutylethyl)-3-methylpyrrolidine-2-carboxamide
CID 102780059
5-[(3-methylpiperidine-2-carbonyl)amino]pentanoic acid
CID 107068216
N-(cyclobutylmethyl)-3-methylpyrrolidine-2-carboxamide
CID 102777267

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(4-propan-2-yloxybutyl)pyrrolidine-2-carboxamide?
The IUPAC name of 3-methyl-N-(4-propan-2-yloxybutyl)pyrrolidine-2-carboxamide (CID 106011258) is 3-methyl-N-(4-propan-2-yloxybutyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 3-methyl-N-(4-propan-2-yloxybutyl)pyrrolidine-2-carboxamide?
The canonical SMILES for 3-methyl-N-(4-propan-2-yloxybutyl)pyrrolidine-2-carboxamide is CC(C)OCCCCNC(=O)C1NCCC1C.
What is the InChIKey of 3-methyl-N-(4-propan-2-yloxybutyl)pyrrolidine-2-carboxamide?
The InChIKey is GHGGHZWEAVGWTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-10(2)17-9-5-4-7-15-13(16)12-11(3)6-8-14-12/h10-12,14H,4-9H2,1-3H3,(H,15,16).
What are the key properties of 3-methyl-N-(4-propan-2-yloxybutyl)pyrrolidine-2-carboxamide?
3-methyl-N-(4-propan-2-yloxybutyl)pyrrolidine-2-carboxamide has a molecular weight of 242.36 g/mol, XLogP of 1.31, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(4-propan-2-yloxybutyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 106011258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).