N'-butan-2-yl-N-[(1-ethylpyrrolidin-2-yl)methyl]oxamide

C13H25N3O2 — CID 3156762

IUPACN'-butan-2-yl-N-[(1-ethylpyrrolidin-2-yl)methyl]oxamide
SMILESCCC(C)NC(=O)C(=O)NCC1CCCN1CC
InChIInChI=1S/C13H25N3O2/c1-4-10(3)15-13(18)12(17)14-9-11-7-6-8-16(11)5-2/h10-11H,4-9H2,1-3H3,(H,14,17)(H,15,18)
InChIKeyGCKKTODIRTYWCM-UHFFFAOYSA-N
MW255.36 g/mol
LogP0.50
Rot. Bonds5

About N'-butan-2-yl-N-[(1-ethylpyrrolidin-2-yl)methyl]oxamide

N'-butan-2-yl-N-[(1-ethylpyrrolidin-2-yl)methyl]oxamide (PubChem CID 3156762) has the molecular formula C13H25N3O2 and a molecular weight of 255.36 g/mol. Its IUPAC name is N'-butan-2-yl-N-[(1-ethylpyrrolidin-2-yl)methyl]oxamide.

Molecular Properties

Compound NameN'-butan-2-yl-N-[(1-ethylpyrrolidin-2-yl)methyl]oxamide
PubChem CID3156762
Molecular FormulaC13H25N3O2
Molecular Weight255.36 g/mol
Exact Mass255.19
IUPAC NameN'-butan-2-yl-N-[(1-ethylpyrrolidin-2-yl)methyl]oxamide
SMILESCCC(C)NC(=O)C(=O)NCC1CCCN1CC
InChIInChI=1S/C13H25N3O2/c1-4-10(3)15-13(18)12(17)14-9-11-7-6-8-16(11)5-2/h10-11H,4-9H2,1-3H3,(H,14,17)(H,15,18)
InChIKeyGCKKTODIRTYWCM-UHFFFAOYSA-N
XLogP0.50
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-butan-2-yl-N-[(1-ethylpyrrolidin-2-yl)methyl]oxamide?
The IUPAC name of N'-butan-2-yl-N-[(1-ethylpyrrolidin-2-yl)methyl]oxamide (CID 3156762) is N'-butan-2-yl-N-[(1-ethylpyrrolidin-2-yl)methyl]oxamide.
What is the SMILES notation for N'-butan-2-yl-N-[(1-ethylpyrrolidin-2-yl)methyl]oxamide?
The canonical SMILES for N'-butan-2-yl-N-[(1-ethylpyrrolidin-2-yl)methyl]oxamide is CCC(C)NC(=O)C(=O)NCC1CCCN1CC.
What is the InChIKey of N'-butan-2-yl-N-[(1-ethylpyrrolidin-2-yl)methyl]oxamide?
The InChIKey is GCKKTODIRTYWCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O2/c1-4-10(3)15-13(18)12(17)14-9-11-7-6-8-16(11)5-2/h10-11H,4-9H2,1-3H3,(H,14,17)(H,15,18).
What are the key properties of N'-butan-2-yl-N-[(1-ethylpyrrolidin-2-yl)methyl]oxamide?
N'-butan-2-yl-N-[(1-ethylpyrrolidin-2-yl)methyl]oxamide has a molecular weight of 255.36 g/mol, XLogP of 0.50, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-butan-2-yl-N-[(1-ethylpyrrolidin-2-yl)methyl]oxamide is sourced from PubChem (CID 3156762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).