6-(2,4-diaminophenyl)-3,4-dimethyl-3-(2-methylpropyl)morpholine-2,5-dione

C16H23N3O3 — CID 70007269

IUPAC6-(2,4-diaminophenyl)-3,4-dimethyl-3-(2-methylpropyl)morpholine-2,5-dione
SMILESCC(C)CC1(C)C(=O)OC(c2ccc(N)cc2N)C(=O)N1C
InChIInChI=1S/C16H23N3O3/c1-9(2)8-16(3)15(21)22-13(14(20)19(16)4)11-6-5-10(17)7-12(11)18/h5-7,9,13H,8,17-18H2,1-4H3
InChIKeyZMLIKFIHEIPNMB-UHFFFAOYSA-N
MW305.38 g/mol
LogP1.71
Rot. Bonds3

About 6-(2,4-diaminophenyl)-3,4-dimethyl-3-(2-methylpropyl)morpholine-2,5-dione

6-(2,4-diaminophenyl)-3,4-dimethyl-3-(2-methylpropyl)morpholine-2,5-dione (PubChem CID 70007269) has the molecular formula C16H23N3O3 and a molecular weight of 305.38 g/mol. Its IUPAC name is 6-(2,4-diaminophenyl)-3,4-dimethyl-3-(2-methylpropyl)morpholine-2,5-dione.

Molecular Properties

Compound Name6-(2,4-diaminophenyl)-3,4-dimethyl-3-(2-methylpropyl)morpholine-2,5-dione
PubChem CID70007269
Molecular FormulaC16H23N3O3
Molecular Weight305.38 g/mol
Exact Mass305.17
IUPAC Name6-(2,4-diaminophenyl)-3,4-dimethyl-3-(2-methylpropyl)morpholine-2,5-dione
SMILESCC(C)CC1(C)C(=O)OC(c2ccc(N)cc2N)C(=O)N1C
InChIInChI=1S/C16H23N3O3/c1-9(2)8-16(3)15(21)22-13(14(20)19(16)4)11-6-5-10(17)7-12(11)18/h5-7,9,13H,8,17-18H2,1-4H3
InChIKeyZMLIKFIHEIPNMB-UHFFFAOYSA-N
XLogP1.71
TPSA98.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(2,4-diaminophenyl)-3,4-dimethyl-3-(2-methylpropyl)morpholine-2,5-dione?
The IUPAC name of 6-(2,4-diaminophenyl)-3,4-dimethyl-3-(2-methylpropyl)morpholine-2,5-dione (CID 70007269) is 6-(2,4-diaminophenyl)-3,4-dimethyl-3-(2-methylpropyl)morpholine-2,5-dione.
What is the SMILES notation for 6-(2,4-diaminophenyl)-3,4-dimethyl-3-(2-methylpropyl)morpholine-2,5-dione?
The canonical SMILES for 6-(2,4-diaminophenyl)-3,4-dimethyl-3-(2-methylpropyl)morpholine-2,5-dione is CC(C)CC1(C)C(=O)OC(c2ccc(N)cc2N)C(=O)N1C.
What is the InChIKey of 6-(2,4-diaminophenyl)-3,4-dimethyl-3-(2-methylpropyl)morpholine-2,5-dione?
The InChIKey is ZMLIKFIHEIPNMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O3/c1-9(2)8-16(3)15(21)22-13(14(20)19(16)4)11-6-5-10(17)7-12(11)18/h5-7,9,13H,8,17-18H2,1-4H3.
What are the key properties of 6-(2,4-diaminophenyl)-3,4-dimethyl-3-(2-methylpropyl)morpholine-2,5-dione?
6-(2,4-diaminophenyl)-3,4-dimethyl-3-(2-methylpropyl)morpholine-2,5-dione has a molecular weight of 305.38 g/mol, XLogP of 1.71, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,4-diaminophenyl)-3,4-dimethyl-3-(2-methylpropyl)morpholine-2,5-dione is sourced from PubChem (CID 70007269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).