2-ethyl-N-pentyl-N-propan-2-ylpyrrolidine-2-carboxamide

C15H30N2O — CID 83071421

IUPAC2-ethyl-N-pentyl-N-propan-2-ylpyrrolidine-2-carboxamide
SMILESCCCCCN(C(=O)C1(CC)CCCN1)C(C)C
InChIInChI=1S/C15H30N2O/c1-5-7-8-12-17(13(3)4)14(18)15(6-2)10-9-11-16-15/h13,16H,5-12H2,1-4H3
InChIKeyRLWQFJQSHLIZON-UHFFFAOYSA-N
MW254.42 g/mol
LogP2.95
Rot. Bonds7

About 2-ethyl-N-pentyl-N-propan-2-ylpyrrolidine-2-carboxamide

2-ethyl-N-pentyl-N-propan-2-ylpyrrolidine-2-carboxamide (PubChem CID 83071421) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is 2-ethyl-N-pentyl-N-propan-2-ylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name2-ethyl-N-pentyl-N-propan-2-ylpyrrolidine-2-carboxamide
PubChem CID83071421
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC Name2-ethyl-N-pentyl-N-propan-2-ylpyrrolidine-2-carboxamide
SMILESCCCCCN(C(=O)C1(CC)CCCN1)C(C)C
InChIInChI=1S/C15H30N2O/c1-5-7-8-12-17(13(3)4)14(18)15(6-2)10-9-11-16-15/h13,16H,5-12H2,1-4H3
InChIKeyRLWQFJQSHLIZON-UHFFFAOYSA-N
XLogP2.95
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-pentyl-N-propan-2-ylpyrrolidine-2-carboxamide?
The IUPAC name of 2-ethyl-N-pentyl-N-propan-2-ylpyrrolidine-2-carboxamide (CID 83071421) is 2-ethyl-N-pentyl-N-propan-2-ylpyrrolidine-2-carboxamide.
What is the SMILES notation for 2-ethyl-N-pentyl-N-propan-2-ylpyrrolidine-2-carboxamide?
The canonical SMILES for 2-ethyl-N-pentyl-N-propan-2-ylpyrrolidine-2-carboxamide is CCCCCN(C(=O)C1(CC)CCCN1)C(C)C.
What is the InChIKey of 2-ethyl-N-pentyl-N-propan-2-ylpyrrolidine-2-carboxamide?
The InChIKey is RLWQFJQSHLIZON-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O/c1-5-7-8-12-17(13(3)4)14(18)15(6-2)10-9-11-16-15/h13,16H,5-12H2,1-4H3.
What are the key properties of 2-ethyl-N-pentyl-N-propan-2-ylpyrrolidine-2-carboxamide?
2-ethyl-N-pentyl-N-propan-2-ylpyrrolidine-2-carboxamide has a molecular weight of 254.42 g/mol, XLogP of 2.95, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-pentyl-N-propan-2-ylpyrrolidine-2-carboxamide is sourced from PubChem (CID 83071421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).