2,2,6,6-tetramethyl-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)morpholine-4-carboxamide

C17H23N3O4 — CID 99829453

IUPAC2,2,6,6-tetramethyl-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)morpholine-4-carboxamide
SMILESCn1c(=O)oc2cc(NC(=O)N3CC(C)(C)OC(C)(C)C3)ccc21
InChIInChI=1S/C17H23N3O4/c1-16(2)9-20(10-17(3,4)24-16)14(21)18-11-6-7-12-13(8-11)23-15(22)19(12)5/h6-8H,9-10H2,1-5H3,(H,18,21)
InChIKeyGZNHHJBFZVXCGK-UHFFFAOYSA-N
MW333.39 g/mol
LogP2.55
Rot. Bonds1

About 2,2,6,6-tetramethyl-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)morpholine-4-carboxamide

2,2,6,6-tetramethyl-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)morpholine-4-carboxamide (PubChem CID 99829453) has the molecular formula C17H23N3O4 and a molecular weight of 333.39 g/mol. Its IUPAC name is 2,2,6,6-tetramethyl-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)morpholine-4-carboxamide.

Molecular Properties

Compound Name2,2,6,6-tetramethyl-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)morpholine-4-carboxamide
PubChem CID99829453
Molecular FormulaC17H23N3O4
Molecular Weight333.39 g/mol
Exact Mass333.17
IUPAC Name2,2,6,6-tetramethyl-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)morpholine-4-carboxamide
SMILESCn1c(=O)oc2cc(NC(=O)N3CC(C)(C)OC(C)(C)C3)ccc21
InChIInChI=1S/C17H23N3O4/c1-16(2)9-20(10-17(3,4)24-16)14(21)18-11-6-7-12-13(8-11)23-15(22)19(12)5/h6-8H,9-10H2,1-5H3,(H,18,21)
InChIKeyGZNHHJBFZVXCGK-UHFFFAOYSA-N
XLogP2.55
TPSA76.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2,2,6,6-tetramethyl-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)morpholine-4-carboxamide with MolForge

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Related Compounds

3-methyl-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-2-oxo-1-oxa-3,7-diazaspiro[4.4]nonane-7-carboxamide
CID 119070099
2-(1-hydroxycyclopentyl)-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)acetamide
CID 111430879
N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)piperidine-4-carboxamide;hydrochloride
CID 119312603
2-cyano-2-methyl-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)propanamide
CID 115174971
N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-2-(4-methylphenyl)acetamide
CID 110662181
1-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-3-(oxan-4-yl)urea
CID 110608289
3-amino-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)cyclopentane-1-carboxamide
CID 119764734
6-[[1-(hydroxymethyl)cyclopropyl]methylamino]-3-methyl-1,3-benzoxazol-2-one
CID 115243274
N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)pyrrolidine-2-carboxamide;hydrochloride
CID 119312607
2-(5-methyl-1,2-oxazol-3-yl)-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)acetamide
CID 110608265
2-amino-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)pentanamide
CID 119312613
4-amino-3-methyl-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)butanamide
CID 115156250

Frequently Asked Questions

What is the IUPAC name of 2,2,6,6-tetramethyl-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)morpholine-4-carboxamide?
The IUPAC name of 2,2,6,6-tetramethyl-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)morpholine-4-carboxamide (CID 99829453) is 2,2,6,6-tetramethyl-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)morpholine-4-carboxamide.
What is the SMILES notation for 2,2,6,6-tetramethyl-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)morpholine-4-carboxamide?
The canonical SMILES for 2,2,6,6-tetramethyl-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)morpholine-4-carboxamide is Cn1c(=O)oc2cc(NC(=O)N3CC(C)(C)OC(C)(C)C3)ccc21.
What is the InChIKey of 2,2,6,6-tetramethyl-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)morpholine-4-carboxamide?
The InChIKey is GZNHHJBFZVXCGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O4/c1-16(2)9-20(10-17(3,4)24-16)14(21)18-11-6-7-12-13(8-11)23-15(22)19(12)5/h6-8H,9-10H2,1-5H3,(H,18,21).
What are the key properties of 2,2,6,6-tetramethyl-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)morpholine-4-carboxamide?
2,2,6,6-tetramethyl-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)morpholine-4-carboxamide has a molecular weight of 333.39 g/mol, XLogP of 2.55, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,6,6-tetramethyl-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)morpholine-4-carboxamide is sourced from PubChem (CID 99829453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).