N-tert-butyl-2-[(3-oxocyclopenten-1-yl)amino]propanamide

C12H20N2O2 — CID 104788692

IUPACN-tert-butyl-2-[(3-oxocyclopenten-1-yl)amino]propanamide
SMILESCC(NC1=CC(=O)CC1)C(=O)NC(C)(C)C
InChIInChI=1S/C12H20N2O2/c1-8(11(16)14-12(2,3)4)13-9-5-6-10(15)7-9/h7-8,13H,5-6H2,1-4H3,(H,14,16)
InChIKeyLGSUPIYYCVVJKM-UHFFFAOYSA-N
MW224.30 g/mol
LogP1.13
Rot. Bonds3

About N-tert-butyl-2-[(3-oxocyclopenten-1-yl)amino]propanamide

N-tert-butyl-2-[(3-oxocyclopenten-1-yl)amino]propanamide (PubChem CID 104788692) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is N-tert-butyl-2-[(3-oxocyclopenten-1-yl)amino]propanamide.

Molecular Properties

Compound NameN-tert-butyl-2-[(3-oxocyclopenten-1-yl)amino]propanamide
PubChem CID104788692
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC NameN-tert-butyl-2-[(3-oxocyclopenten-1-yl)amino]propanamide
SMILESCC(NC1=CC(=O)CC1)C(=O)NC(C)(C)C
InChIInChI=1S/C12H20N2O2/c1-8(11(16)14-12(2,3)4)13-9-5-6-10(15)7-9/h7-8,13H,5-6H2,1-4H3,(H,14,16)
InChIKeyLGSUPIYYCVVJKM-UHFFFAOYSA-N
XLogP1.13
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[(3-oxocyclopenten-1-yl)amino]propanamide?
The IUPAC name of N-tert-butyl-2-[(3-oxocyclopenten-1-yl)amino]propanamide (CID 104788692) is N-tert-butyl-2-[(3-oxocyclopenten-1-yl)amino]propanamide.
What is the SMILES notation for N-tert-butyl-2-[(3-oxocyclopenten-1-yl)amino]propanamide?
The canonical SMILES for N-tert-butyl-2-[(3-oxocyclopenten-1-yl)amino]propanamide is CC(NC1=CC(=O)CC1)C(=O)NC(C)(C)C.
What is the InChIKey of N-tert-butyl-2-[(3-oxocyclopenten-1-yl)amino]propanamide?
The InChIKey is LGSUPIYYCVVJKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-8(11(16)14-12(2,3)4)13-9-5-6-10(15)7-9/h7-8,13H,5-6H2,1-4H3,(H,14,16).
What are the key properties of N-tert-butyl-2-[(3-oxocyclopenten-1-yl)amino]propanamide?
N-tert-butyl-2-[(3-oxocyclopenten-1-yl)amino]propanamide has a molecular weight of 224.30 g/mol, XLogP of 1.13, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[(3-oxocyclopenten-1-yl)amino]propanamide is sourced from PubChem (CID 104788692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).