N-ethyl-N-methyl-2-[(3-oxocyclopenten-1-yl)amino]propanamide

C11H18N2O2 — CID 103111466

IUPACN-ethyl-N-methyl-2-[(3-oxocyclopenten-1-yl)amino]propanamide
SMILESCCN(C)C(=O)C(C)NC1=CC(=O)CC1
InChIInChI=1S/C11H18N2O2/c1-4-13(3)11(15)8(2)12-9-5-6-10(14)7-9/h7-8,12H,4-6H2,1-3H3
InChIKeyJKSWICDFQAHOOT-UHFFFAOYSA-N
MW210.28 g/mol
LogP0.69
Rot. Bonds4

About N-ethyl-N-methyl-2-[(3-oxocyclopenten-1-yl)amino]propanamide

N-ethyl-N-methyl-2-[(3-oxocyclopenten-1-yl)amino]propanamide (PubChem CID 103111466) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is N-ethyl-N-methyl-2-[(3-oxocyclopenten-1-yl)amino]propanamide.

Molecular Properties

Compound NameN-ethyl-N-methyl-2-[(3-oxocyclopenten-1-yl)amino]propanamide
PubChem CID103111466
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC NameN-ethyl-N-methyl-2-[(3-oxocyclopenten-1-yl)amino]propanamide
SMILESCCN(C)C(=O)C(C)NC1=CC(=O)CC1
InChIInChI=1S/C11H18N2O2/c1-4-13(3)11(15)8(2)12-9-5-6-10(14)7-9/h7-8,12H,4-6H2,1-3H3
InChIKeyJKSWICDFQAHOOT-UHFFFAOYSA-N
XLogP0.69
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-methyl-2-[(3-oxocyclopenten-1-yl)amino]propanamide?
The IUPAC name of N-ethyl-N-methyl-2-[(3-oxocyclopenten-1-yl)amino]propanamide (CID 103111466) is N-ethyl-N-methyl-2-[(3-oxocyclopenten-1-yl)amino]propanamide.
What is the SMILES notation for N-ethyl-N-methyl-2-[(3-oxocyclopenten-1-yl)amino]propanamide?
The canonical SMILES for N-ethyl-N-methyl-2-[(3-oxocyclopenten-1-yl)amino]propanamide is CCN(C)C(=O)C(C)NC1=CC(=O)CC1.
What is the InChIKey of N-ethyl-N-methyl-2-[(3-oxocyclopenten-1-yl)amino]propanamide?
The InChIKey is JKSWICDFQAHOOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-4-13(3)11(15)8(2)12-9-5-6-10(14)7-9/h7-8,12H,4-6H2,1-3H3.
What are the key properties of N-ethyl-N-methyl-2-[(3-oxocyclopenten-1-yl)amino]propanamide?
N-ethyl-N-methyl-2-[(3-oxocyclopenten-1-yl)amino]propanamide has a molecular weight of 210.28 g/mol, XLogP of 0.69, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-methyl-2-[(3-oxocyclopenten-1-yl)amino]propanamide is sourced from PubChem (CID 103111466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).