2,2-dimethyl-3-oxo-4-(2-oxo-2-piperidin-1-ylethyl)-N-propan-2-yl-1,4-benzoxazine-6-carboxamide

C21H29N3O4 — CID 3223043

IUPAC2,2-dimethyl-3-oxo-4-(2-oxo-2-piperidin-1-ylethyl)-N-propan-2-yl-1,4-benzoxazine-6-carboxamide
SMILESCC(C)NC(=O)c1ccc2c(c1)N(CC(=O)N1CCCCC1)C(=O)C(C)(C)O2
InChIInChI=1S/C21H29N3O4/c1-14(2)22-19(26)15-8-9-17-16(12-15)24(20(27)21(3,4)28-17)13-18(25)23-10-6-5-7-11-23/h8-9,12,14H,5-7,10-11,13H2,1-4H3,(H,22,26)
InChIKeyZLYUIXJQJNGQJY-UHFFFAOYSA-N
MW387.48 g/mol
LogP2.34
Rot. Bonds4

About 2,2-dimethyl-3-oxo-4-(2-oxo-2-piperidin-1-ylethyl)-N-propan-2-yl-1,4-benzoxazine-6-carboxamide

2,2-dimethyl-3-oxo-4-(2-oxo-2-piperidin-1-ylethyl)-N-propan-2-yl-1,4-benzoxazine-6-carboxamide (PubChem CID 3223043) has the molecular formula C21H29N3O4 and a molecular weight of 387.48 g/mol. Its IUPAC name is 2,2-dimethyl-3-oxo-4-(2-oxo-2-piperidin-1-ylethyl)-N-propan-2-yl-1,4-benzoxazine-6-carboxamide.

Molecular Properties

Compound Name2,2-dimethyl-3-oxo-4-(2-oxo-2-piperidin-1-ylethyl)-N-propan-2-yl-1,4-benzoxazine-6-carboxamide
PubChem CID3223043
Molecular FormulaC21H29N3O4
Molecular Weight387.48 g/mol
Exact Mass387.22
IUPAC Name2,2-dimethyl-3-oxo-4-(2-oxo-2-piperidin-1-ylethyl)-N-propan-2-yl-1,4-benzoxazine-6-carboxamide
SMILESCC(C)NC(=O)c1ccc2c(c1)N(CC(=O)N1CCCCC1)C(=O)C(C)(C)O2
InChIInChI=1S/C21H29N3O4/c1-14(2)22-19(26)15-8-9-17-16(12-15)24(20(27)21(3,4)28-17)13-18(25)23-10-6-5-7-11-23/h8-9,12,14H,5-7,10-11,13H2,1-4H3,(H,22,26)
InChIKeyZLYUIXJQJNGQJY-UHFFFAOYSA-N
XLogP2.34
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.48
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-oxo-4-(2-oxo-2-piperidin-1-ylethyl)-N-propan-2-yl-1,4-benzoxazine-6-carboxamide?
The IUPAC name of 2,2-dimethyl-3-oxo-4-(2-oxo-2-piperidin-1-ylethyl)-N-propan-2-yl-1,4-benzoxazine-6-carboxamide (CID 3223043) is 2,2-dimethyl-3-oxo-4-(2-oxo-2-piperidin-1-ylethyl)-N-propan-2-yl-1,4-benzoxazine-6-carboxamide.
What is the SMILES notation for 2,2-dimethyl-3-oxo-4-(2-oxo-2-piperidin-1-ylethyl)-N-propan-2-yl-1,4-benzoxazine-6-carboxamide?
The canonical SMILES for 2,2-dimethyl-3-oxo-4-(2-oxo-2-piperidin-1-ylethyl)-N-propan-2-yl-1,4-benzoxazine-6-carboxamide is CC(C)NC(=O)c1ccc2c(c1)N(CC(=O)N1CCCCC1)C(=O)C(C)(C)O2.
What is the InChIKey of 2,2-dimethyl-3-oxo-4-(2-oxo-2-piperidin-1-ylethyl)-N-propan-2-yl-1,4-benzoxazine-6-carboxamide?
The InChIKey is ZLYUIXJQJNGQJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O4/c1-14(2)22-19(26)15-8-9-17-16(12-15)24(20(27)21(3,4)28-17)13-18(25)23-10-6-5-7-11-23/h8-9,12,14H,5-7,10-11,13H2,1-4H3,(H,22,26).
What are the key properties of 2,2-dimethyl-3-oxo-4-(2-oxo-2-piperidin-1-ylethyl)-N-propan-2-yl-1,4-benzoxazine-6-carboxamide?
2,2-dimethyl-3-oxo-4-(2-oxo-2-piperidin-1-ylethyl)-N-propan-2-yl-1,4-benzoxazine-6-carboxamide has a molecular weight of 387.48 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-oxo-4-(2-oxo-2-piperidin-1-ylethyl)-N-propan-2-yl-1,4-benzoxazine-6-carboxamide is sourced from PubChem (CID 3223043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).