N'-tert-butyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]oxamide

C13H23N3O3 — CID 45000134

IUPACN'-tert-butyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]oxamide
SMILESCC(C)(C)NC(=O)C(=O)NCCCN1CCCC1=O
InChIInChI=1S/C13H23N3O3/c1-13(2,3)15-12(19)11(18)14-7-5-9-16-8-4-6-10(16)17/h4-9H2,1-3H3,(H,14,18)(H,15,19)
InChIKeyIXMZAZPERYDGDW-UHFFFAOYSA-N
MW269.34 g/mol
LogP0.03
Rot. Bonds4

About N'-tert-butyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]oxamide

N'-tert-butyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]oxamide (PubChem CID 45000134) has the molecular formula C13H23N3O3 and a molecular weight of 269.34 g/mol. Its IUPAC name is N'-tert-butyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]oxamide.

Molecular Properties

Compound NameN'-tert-butyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]oxamide
PubChem CID45000134
Molecular FormulaC13H23N3O3
Molecular Weight269.34 g/mol
Exact Mass269.17
IUPAC NameN'-tert-butyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]oxamide
SMILESCC(C)(C)NC(=O)C(=O)NCCCN1CCCC1=O
InChIInChI=1S/C13H23N3O3/c1-13(2,3)15-12(19)11(18)14-7-5-9-16-8-4-6-10(16)17/h4-9H2,1-3H3,(H,14,18)(H,15,19)
InChIKeyIXMZAZPERYDGDW-UHFFFAOYSA-N
XLogP0.03
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 50.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-(2-methoxyethyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]oxamide
CID 45497345
(E)-2-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]pent-2-enamide
CID 98444091
(Z)-2-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]pent-2-enamide
CID 47025991
N-[3-(2-oxopyrrolidin-1-yl)propyl]-N'-phenyloxamide
CID 7541598
(2S)-2-amino-3,3-dimethyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]butanamide
CID 119671584
N-[3-(2-oxopyrrolidin-1-yl)propyl]butanamide
CID 123515256
N'-[(4-chlorophenyl)methyl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]oxamide
CID 18588547
N-[3-(2-oxopyrrolidin-1-yl)propyl]-N'-(pyridin-4-ylmethyl)oxamide
CID 44998685
2-(2-oxopiperidin-1-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
CID 86984731
N-[3-(2-oxopyrrolidin-1-yl)propyl]cyclopentanecarboxamide
CID 17217958
N-tert-butyl-3-[3-(2-oxopyrrolidin-1-yl)propylcarbamoylamino]benzamide
CID 52663990
2-(diethylamino)-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
CID 86977577

Frequently Asked Questions

What is the IUPAC name of N'-tert-butyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]oxamide?
The IUPAC name of N'-tert-butyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]oxamide (CID 45000134) is N'-tert-butyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]oxamide.
What is the SMILES notation for N'-tert-butyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]oxamide?
The canonical SMILES for N'-tert-butyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]oxamide is CC(C)(C)NC(=O)C(=O)NCCCN1CCCC1=O.
What is the InChIKey of N'-tert-butyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]oxamide?
The InChIKey is IXMZAZPERYDGDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O3/c1-13(2,3)15-12(19)11(18)14-7-5-9-16-8-4-6-10(16)17/h4-9H2,1-3H3,(H,14,18)(H,15,19).
What are the key properties of N'-tert-butyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]oxamide?
N'-tert-butyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]oxamide has a molecular weight of 269.34 g/mol, XLogP of 0.03, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-tert-butyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]oxamide is sourced from PubChem (CID 45000134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).