N-ethyl-N-(2-methyl-1,3-dioxoinden-2-yl)-2-morpholin-4-ylacetamide;hydrochloride

C18H23ClN2O4 — CID 15945623

IUPACN-ethyl-N-(2-methyl-1,3-dioxoinden-2-yl)-2-morpholin-4-ylacetamide;hydrochloride
SMILESCCN(C(=O)CN1CCOCC1)C1(C)C(=O)c2ccccc2C1=O.Cl
InChIInChI=1S/C18H22N2O4.ClH/c1-3-20(15(21)12-19-8-10-24-11-9-19)18(2)16(22)13-6-4-5-7-14(13)17(18)23;/h4-7H,3,8-12H2,1-2H3;1H
InChIKeyZIRFODVJPYOEHW-UHFFFAOYSA-N
MW366.85 g/mol
LogP1.43
Rot. Bonds4

About N-ethyl-N-(2-methyl-1,3-dioxoinden-2-yl)-2-morpholin-4-ylacetamide;hydrochloride

N-ethyl-N-(2-methyl-1,3-dioxoinden-2-yl)-2-morpholin-4-ylacetamide;hydrochloride (PubChem CID 15945623) has the molecular formula C18H23ClN2O4 and a molecular weight of 366.85 g/mol. Its IUPAC name is N-ethyl-N-(2-methyl-1,3-dioxoinden-2-yl)-2-morpholin-4-ylacetamide;hydrochloride.

Molecular Properties

Compound NameN-ethyl-N-(2-methyl-1,3-dioxoinden-2-yl)-2-morpholin-4-ylacetamide;hydrochloride
PubChem CID15945623
Molecular FormulaC18H23ClN2O4
Molecular Weight366.85 g/mol
Exact Mass366.13
IUPAC NameN-ethyl-N-(2-methyl-1,3-dioxoinden-2-yl)-2-morpholin-4-ylacetamide;hydrochloride
SMILESCCN(C(=O)CN1CCOCC1)C1(C)C(=O)c2ccccc2C1=O.Cl
InChIInChI=1S/C18H22N2O4.ClH/c1-3-20(15(21)12-19-8-10-24-11-9-19)18(2)16(22)13-6-4-5-7-14(13)17(18)23;/h4-7H,3,8-12H2,1-2H3;1H
InChIKeyZIRFODVJPYOEHW-UHFFFAOYSA-N
XLogP1.43
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.85
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'keto_keto_beta_A(68)', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(2-methyl-1,3-dioxoinden-2-yl)-2-morpholin-4-ylacetamide;hydrochloride?
The IUPAC name of N-ethyl-N-(2-methyl-1,3-dioxoinden-2-yl)-2-morpholin-4-ylacetamide;hydrochloride (CID 15945623) is N-ethyl-N-(2-methyl-1,3-dioxoinden-2-yl)-2-morpholin-4-ylacetamide;hydrochloride.
What is the SMILES notation for N-ethyl-N-(2-methyl-1,3-dioxoinden-2-yl)-2-morpholin-4-ylacetamide;hydrochloride?
The canonical SMILES for N-ethyl-N-(2-methyl-1,3-dioxoinden-2-yl)-2-morpholin-4-ylacetamide;hydrochloride is CCN(C(=O)CN1CCOCC1)C1(C)C(=O)c2ccccc2C1=O.Cl.
What is the InChIKey of N-ethyl-N-(2-methyl-1,3-dioxoinden-2-yl)-2-morpholin-4-ylacetamide;hydrochloride?
The InChIKey is ZIRFODVJPYOEHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O4.ClH/c1-3-20(15(21)12-19-8-10-24-11-9-19)18(2)16(22)13-6-4-5-7-14(13)17(18)23;/h4-7H,3,8-12H2,1-2H3;1H.
What are the key properties of N-ethyl-N-(2-methyl-1,3-dioxoinden-2-yl)-2-morpholin-4-ylacetamide;hydrochloride?
N-ethyl-N-(2-methyl-1,3-dioxoinden-2-yl)-2-morpholin-4-ylacetamide;hydrochloride has a molecular weight of 366.85 g/mol, XLogP of 1.43, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(2-methyl-1,3-dioxoinden-2-yl)-2-morpholin-4-ylacetamide;hydrochloride is sourced from PubChem (CID 15945623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).