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

C11H18N2O3 — CID 104788694

IUPACN-(2-methoxyethyl)-2-[(3-oxocyclopenten-1-yl)amino]propanamide
SMILESCOCCNC(=O)C(C)NC1=CC(=O)CC1
InChIInChI=1S/C11H18N2O3/c1-8(11(15)12-5-6-16-2)13-9-3-4-10(14)7-9/h7-8,13H,3-6H2,1-2H3,(H,12,15)
InChIKeyMOVYLXXGWNQMHW-UHFFFAOYSA-N
MW226.28 g/mol
LogP-0.03
Rot. Bonds6

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

N-(2-methoxyethyl)-2-[(3-oxocyclopenten-1-yl)amino]propanamide (PubChem CID 104788694) has the molecular formula C11H18N2O3 and a molecular weight of 226.28 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2-[(3-oxocyclopenten-1-yl)amino]propanamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-2-[(3-oxocyclopenten-1-yl)amino]propanamide
PubChem CID104788694
Molecular FormulaC11H18N2O3
Molecular Weight226.28 g/mol
Exact Mass226.13
IUPAC NameN-(2-methoxyethyl)-2-[(3-oxocyclopenten-1-yl)amino]propanamide
SMILESCOCCNC(=O)C(C)NC1=CC(=O)CC1
InChIInChI=1S/C11H18N2O3/c1-8(11(15)12-5-6-16-2)13-9-3-4-10(14)7-9/h7-8,13H,3-6H2,1-2H3,(H,12,15)
InChIKeyMOVYLXXGWNQMHW-UHFFFAOYSA-N
XLogP-0.03
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 5-0.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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CID 43087306
N-(2-methoxyethyl)-2-(propan-2-ylamino)propanamide
CID 43086718
2-(2,6-dibromo-4-methylanilino)-N-(2-methoxyethyl)propanamide
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2-(4-bromo-3-fluoroanilino)-N-(2-methoxyethyl)propanamide
CID 65437332
(2S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-methoxyethyl)propanamide
CID 9248289
N-(2-methoxyethyl)-2-[(5-methoxy-1-methylpyrazol-3-yl)amino]propanamide
CID 114255815
N-(2-methoxyethyl)-2-(naphthalen-1-ylamino)propanamide
CID 43086869
3-(4-methoxybutylamino)cyclopent-2-en-1-one
CID 104788426
N-(2-methoxyethyl)-2-(4-methyl-3-nitroanilino)propanamide
CID 115573855
2-(2,2-dimethylhydrazinyl)-N-(2-methoxyethyl)propanamide
CID 83013633
2-(2-amino-3-methylanilino)-N-(2-methoxyethyl)propanamide
CID 114041348

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-2-[(3-oxocyclopenten-1-yl)amino]propanamide?
The IUPAC name of N-(2-methoxyethyl)-2-[(3-oxocyclopenten-1-yl)amino]propanamide (CID 104788694) is N-(2-methoxyethyl)-2-[(3-oxocyclopenten-1-yl)amino]propanamide.
What is the SMILES notation for N-(2-methoxyethyl)-2-[(3-oxocyclopenten-1-yl)amino]propanamide?
The canonical SMILES for N-(2-methoxyethyl)-2-[(3-oxocyclopenten-1-yl)amino]propanamide is COCCNC(=O)C(C)NC1=CC(=O)CC1.
What is the InChIKey of N-(2-methoxyethyl)-2-[(3-oxocyclopenten-1-yl)amino]propanamide?
The InChIKey is MOVYLXXGWNQMHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3/c1-8(11(15)12-5-6-16-2)13-9-3-4-10(14)7-9/h7-8,13H,3-6H2,1-2H3,(H,12,15).
What are the key properties of N-(2-methoxyethyl)-2-[(3-oxocyclopenten-1-yl)amino]propanamide?
N-(2-methoxyethyl)-2-[(3-oxocyclopenten-1-yl)amino]propanamide has a molecular weight of 226.28 g/mol, XLogP of -0.03, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-2-[(3-oxocyclopenten-1-yl)amino]propanamide is sourced from PubChem (CID 104788694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).