4-amino-N-[2-(ethylamino)-2-oxoethyl]-N-methylcyclopent-2-ene-1-carboxamide

C11H19N3O2 — CID 79210568

IUPAC4-amino-N-[2-(ethylamino)-2-oxoethyl]-N-methylcyclopent-2-ene-1-carboxamide
SMILESCCNC(=O)CN(C)C(=O)C1C=CC(N)C1
InChIInChI=1S/C11H19N3O2/c1-3-13-10(15)7-14(2)11(16)8-4-5-9(12)6-8/h4-5,8-9H,3,6-7,12H2,1-2H3,(H,13,15)
InChIKeyPNRXLSLHXHKXHB-UHFFFAOYSA-N
MW225.29 g/mol
LogP-0.52
Rot. Bonds4

About 4-amino-N-[2-(ethylamino)-2-oxoethyl]-N-methylcyclopent-2-ene-1-carboxamide

4-amino-N-[2-(ethylamino)-2-oxoethyl]-N-methylcyclopent-2-ene-1-carboxamide (PubChem CID 79210568) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is 4-amino-N-[2-(ethylamino)-2-oxoethyl]-N-methylcyclopent-2-ene-1-carboxamide.

Molecular Properties

Compound Name4-amino-N-[2-(ethylamino)-2-oxoethyl]-N-methylcyclopent-2-ene-1-carboxamide
PubChem CID79210568
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Name4-amino-N-[2-(ethylamino)-2-oxoethyl]-N-methylcyclopent-2-ene-1-carboxamide
SMILESCCNC(=O)CN(C)C(=O)C1C=CC(N)C1
InChIInChI=1S/C11H19N3O2/c1-3-13-10(15)7-14(2)11(16)8-4-5-9(12)6-8/h4-5,8-9H,3,6-7,12H2,1-2H3,(H,13,15)
InChIKeyPNRXLSLHXHKXHB-UHFFFAOYSA-N
XLogP-0.52
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 5-0.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-(ethylamino)-2-oxoethyl]-N-methylcyclopent-2-ene-1-carboxamide?
The IUPAC name of 4-amino-N-[2-(ethylamino)-2-oxoethyl]-N-methylcyclopent-2-ene-1-carboxamide (CID 79210568) is 4-amino-N-[2-(ethylamino)-2-oxoethyl]-N-methylcyclopent-2-ene-1-carboxamide.
What is the SMILES notation for 4-amino-N-[2-(ethylamino)-2-oxoethyl]-N-methylcyclopent-2-ene-1-carboxamide?
The canonical SMILES for 4-amino-N-[2-(ethylamino)-2-oxoethyl]-N-methylcyclopent-2-ene-1-carboxamide is CCNC(=O)CN(C)C(=O)C1C=CC(N)C1.
What is the InChIKey of 4-amino-N-[2-(ethylamino)-2-oxoethyl]-N-methylcyclopent-2-ene-1-carboxamide?
The InChIKey is PNRXLSLHXHKXHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-3-13-10(15)7-14(2)11(16)8-4-5-9(12)6-8/h4-5,8-9H,3,6-7,12H2,1-2H3,(H,13,15).
What are the key properties of 4-amino-N-[2-(ethylamino)-2-oxoethyl]-N-methylcyclopent-2-ene-1-carboxamide?
4-amino-N-[2-(ethylamino)-2-oxoethyl]-N-methylcyclopent-2-ene-1-carboxamide has a molecular weight of 225.29 g/mol, XLogP of -0.52, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[2-(ethylamino)-2-oxoethyl]-N-methylcyclopent-2-ene-1-carboxamide is sourced from PubChem (CID 79210568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).