N-(4-propan-2-yloxybutyl)-2-propylpyrrolidine-2-carboxamide

C15H30N2O2 — CID 106011154

IUPACN-(4-propan-2-yloxybutyl)-2-propylpyrrolidine-2-carboxamide
SMILESCCCC1(C(=O)NCCCCOC(C)C)CCCN1
InChIInChI=1S/C15H30N2O2/c1-4-8-15(9-7-11-17-15)14(18)16-10-5-6-12-19-13(2)3/h13,17H,4-12H2,1-3H3,(H,16,18)
InChIKeyXQDKJBHRQCYTIE-UHFFFAOYSA-N
MW270.42 g/mol
LogP2.23
Rot. Bonds9

About N-(4-propan-2-yloxybutyl)-2-propylpyrrolidine-2-carboxamide

N-(4-propan-2-yloxybutyl)-2-propylpyrrolidine-2-carboxamide (PubChem CID 106011154) has the molecular formula C15H30N2O2 and a molecular weight of 270.42 g/mol. Its IUPAC name is N-(4-propan-2-yloxybutyl)-2-propylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(4-propan-2-yloxybutyl)-2-propylpyrrolidine-2-carboxamide
PubChem CID106011154
Molecular FormulaC15H30N2O2
Molecular Weight270.42 g/mol
Exact Mass270.23
IUPAC NameN-(4-propan-2-yloxybutyl)-2-propylpyrrolidine-2-carboxamide
SMILESCCCC1(C(=O)NCCCCOC(C)C)CCCN1
InChIInChI=1S/C15H30N2O2/c1-4-8-15(9-7-11-17-15)14(18)16-10-5-6-12-19-13(2)3/h13,17H,4-12H2,1-3H3,(H,16,18)
InChIKeyXQDKJBHRQCYTIE-UHFFFAOYSA-N
XLogP2.23
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 52.23
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

N-octyl-2-propylpyrrolidine-2-carboxamide
CID 106975640
N-(4-methylsulfanylbutyl)-2-propylpyrrolidine-2-carboxamide
CID 106975806
N-(2,2-dimethoxyethyl)-2-propylpyrrolidine-2-carboxamide
CID 106974916
N-(2,3-dimethylbutyl)-2-propylpyrrolidine-2-carboxamide
CID 106975317
N-[1-(2-methoxyethylamino)-1-oxopropan-2-yl]-2-propylpyrrolidine-2-carboxamide
CID 106975744
1-amino-N-(4-propan-2-yloxybutyl)cyclobutane-1-carboxamide
CID 106011328
1-(4-propan-2-yloxybutylcarbamoyl)cyclobutane-1-carboxylic acid
CID 106005703
2-methyl-N-(2-propan-2-yloxyethyl)pyrrolidine-2-carboxamide
CID 104761059
N-(2-oxo-2-piperidin-1-ylethyl)-2-propylpyrrolidine-2-carboxamide
CID 106975739
N-[3-(cyclopropylamino)-3-oxopropyl]-2-propylpyrrolidine-2-carboxamide
CID 106975460
N-[(1-hydroxycycloheptyl)methyl]-2-propylpyrrolidine-2-carboxamide
CID 106975355
N-(1-methoxybutan-2-yl)-2-propylpyrrolidine-2-carboxamide
CID 106975300

Frequently Asked Questions

What is the IUPAC name of N-(4-propan-2-yloxybutyl)-2-propylpyrrolidine-2-carboxamide?
The IUPAC name of N-(4-propan-2-yloxybutyl)-2-propylpyrrolidine-2-carboxamide (CID 106011154) is N-(4-propan-2-yloxybutyl)-2-propylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-(4-propan-2-yloxybutyl)-2-propylpyrrolidine-2-carboxamide?
The canonical SMILES for N-(4-propan-2-yloxybutyl)-2-propylpyrrolidine-2-carboxamide is CCCC1(C(=O)NCCCCOC(C)C)CCCN1.
What is the InChIKey of N-(4-propan-2-yloxybutyl)-2-propylpyrrolidine-2-carboxamide?
The InChIKey is XQDKJBHRQCYTIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O2/c1-4-8-15(9-7-11-17-15)14(18)16-10-5-6-12-19-13(2)3/h13,17H,4-12H2,1-3H3,(H,16,18).
What are the key properties of N-(4-propan-2-yloxybutyl)-2-propylpyrrolidine-2-carboxamide?
N-(4-propan-2-yloxybutyl)-2-propylpyrrolidine-2-carboxamide has a molecular weight of 270.42 g/mol, XLogP of 2.23, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-propan-2-yloxybutyl)-2-propylpyrrolidine-2-carboxamide is sourced from PubChem (CID 106011154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).