1-butan-2-yl-5-oxo-N,N-dipropylpyrrolidine-3-carboxamide

C15H28N2O2 — CID 113182159

IUPAC1-butan-2-yl-5-oxo-N,N-dipropylpyrrolidine-3-carboxamide
SMILESCCCN(CCC)C(=O)C1CC(=O)N(C(C)CC)C1
InChIInChI=1S/C15H28N2O2/c1-5-8-16(9-6-2)15(19)13-10-14(18)17(11-13)12(4)7-3/h12-13H,5-11H2,1-4H3
InChIKeyIRQJZSALFVUICG-UHFFFAOYSA-N
MW268.40 g/mol
LogP2.28
Rot. Bonds7

About 1-butan-2-yl-5-oxo-N,N-dipropylpyrrolidine-3-carboxamide

1-butan-2-yl-5-oxo-N,N-dipropylpyrrolidine-3-carboxamide (PubChem CID 113182159) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 1-butan-2-yl-5-oxo-N,N-dipropylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-butan-2-yl-5-oxo-N,N-dipropylpyrrolidine-3-carboxamide
PubChem CID113182159
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC Name1-butan-2-yl-5-oxo-N,N-dipropylpyrrolidine-3-carboxamide
SMILESCCCN(CCC)C(=O)C1CC(=O)N(C(C)CC)C1
InChIInChI=1S/C15H28N2O2/c1-5-8-16(9-6-2)15(19)13-10-14(18)17(11-13)12(4)7-3/h12-13H,5-11H2,1-4H3
InChIKeyIRQJZSALFVUICG-UHFFFAOYSA-N
XLogP2.28
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-5-oxo-N,N-dipropylpyrrolidine-3-carboxamide?
The IUPAC name of 1-butan-2-yl-5-oxo-N,N-dipropylpyrrolidine-3-carboxamide (CID 113182159) is 1-butan-2-yl-5-oxo-N,N-dipropylpyrrolidine-3-carboxamide.
What is the SMILES notation for 1-butan-2-yl-5-oxo-N,N-dipropylpyrrolidine-3-carboxamide?
The canonical SMILES for 1-butan-2-yl-5-oxo-N,N-dipropylpyrrolidine-3-carboxamide is CCCN(CCC)C(=O)C1CC(=O)N(C(C)CC)C1.
What is the InChIKey of 1-butan-2-yl-5-oxo-N,N-dipropylpyrrolidine-3-carboxamide?
The InChIKey is IRQJZSALFVUICG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-5-8-16(9-6-2)15(19)13-10-14(18)17(11-13)12(4)7-3/h12-13H,5-11H2,1-4H3.
What are the key properties of 1-butan-2-yl-5-oxo-N,N-dipropylpyrrolidine-3-carboxamide?
1-butan-2-yl-5-oxo-N,N-dipropylpyrrolidine-3-carboxamide has a molecular weight of 268.40 g/mol, XLogP of 2.28, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-5-oxo-N,N-dipropylpyrrolidine-3-carboxamide is sourced from PubChem (CID 113182159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).