N-(2-methoxyethyl)-2-[5-methyl-3-(4-methylphenyl)-4,6-dioxo-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazol-2-yl]acetamide

C18H23N3O5 — CID 134082880

IUPACN-(2-methoxyethyl)-2-[5-methyl-3-(4-methylphenyl)-4,6-dioxo-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazol-2-yl]acetamide
SMILESCOCCNC(=O)CN1OC2C(=O)N(C)C(=O)C2C1c1ccc(C)cc1
InChIInChI=1S/C18H23N3O5/c1-11-4-6-12(7-5-11)15-14-16(18(24)20(2)17(14)23)26-21(15)10-13(22)19-8-9-25-3/h4-7,14-16H,8-10H2,1-3H3,(H,19,22)
InChIKeyAQQCGWRHYGYBOS-UHFFFAOYSA-N
MW361.40 g/mol
LogP0.03
Rot. Bonds6

About N-(2-methoxyethyl)-2-[5-methyl-3-(4-methylphenyl)-4,6-dioxo-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazol-2-yl]acetamide

N-(2-methoxyethyl)-2-[5-methyl-3-(4-methylphenyl)-4,6-dioxo-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazol-2-yl]acetamide (PubChem CID 134082880) has the molecular formula C18H23N3O5 and a molecular weight of 361.40 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2-[5-methyl-3-(4-methylphenyl)-4,6-dioxo-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazol-2-yl]acetamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-2-[5-methyl-3-(4-methylphenyl)-4,6-dioxo-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazol-2-yl]acetamide
PubChem CID134082880
Molecular FormulaC18H23N3O5
Molecular Weight361.40 g/mol
Exact Mass361.16
IUPAC NameN-(2-methoxyethyl)-2-[5-methyl-3-(4-methylphenyl)-4,6-dioxo-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazol-2-yl]acetamide
SMILESCOCCNC(=O)CN1OC2C(=O)N(C)C(=O)C2C1c1ccc(C)cc1
InChIInChI=1S/C18H23N3O5/c1-11-4-6-12(7-5-11)15-14-16(18(24)20(2)17(14)23)26-21(15)10-13(22)19-8-9-25-3/h4-7,14-16H,8-10H2,1-3H3,(H,19,22)
InChIKeyAQQCGWRHYGYBOS-UHFFFAOYSA-N
XLogP0.03
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.40
LogP ≤ 50.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-2-[5-methyl-3-(4-methylphenyl)-4,6-dioxo-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazol-2-yl]acetamide?
The IUPAC name of N-(2-methoxyethyl)-2-[5-methyl-3-(4-methylphenyl)-4,6-dioxo-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazol-2-yl]acetamide (CID 134082880) is N-(2-methoxyethyl)-2-[5-methyl-3-(4-methylphenyl)-4,6-dioxo-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazol-2-yl]acetamide.
What is the SMILES notation for N-(2-methoxyethyl)-2-[5-methyl-3-(4-methylphenyl)-4,6-dioxo-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazol-2-yl]acetamide?
The canonical SMILES for N-(2-methoxyethyl)-2-[5-methyl-3-(4-methylphenyl)-4,6-dioxo-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazol-2-yl]acetamide is COCCNC(=O)CN1OC2C(=O)N(C)C(=O)C2C1c1ccc(C)cc1.
What is the InChIKey of N-(2-methoxyethyl)-2-[5-methyl-3-(4-methylphenyl)-4,6-dioxo-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazol-2-yl]acetamide?
The InChIKey is AQQCGWRHYGYBOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O5/c1-11-4-6-12(7-5-11)15-14-16(18(24)20(2)17(14)23)26-21(15)10-13(22)19-8-9-25-3/h4-7,14-16H,8-10H2,1-3H3,(H,19,22).
What are the key properties of N-(2-methoxyethyl)-2-[5-methyl-3-(4-methylphenyl)-4,6-dioxo-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazol-2-yl]acetamide?
N-(2-methoxyethyl)-2-[5-methyl-3-(4-methylphenyl)-4,6-dioxo-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazol-2-yl]acetamide has a molecular weight of 361.40 g/mol, XLogP of 0.03, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-2-[5-methyl-3-(4-methylphenyl)-4,6-dioxo-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazol-2-yl]acetamide is sourced from PubChem (CID 134082880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).