(2R)-N-[2-(tert-butylamino)-2-oxoethyl]-N,2-dimethyl-3-oxo-4H-1,4-benzoxazine-8-carboxamide

C17H23N3O4 — CID 97022556

IUPAC(2R)-N-[2-(tert-butylamino)-2-oxoethyl]-N,2-dimethyl-3-oxo-4H-1,4-benzoxazine-8-carboxamide
SMILESC[C@H]1Oc2c(cccc2C(=O)N(C)CC(=O)NC(C)(C)C)NC1=O
InChIInChI=1S/C17H23N3O4/c1-10-15(22)18-12-8-6-7-11(14(12)24-10)16(23)20(5)9-13(21)19-17(2,3)4/h6-8,10H,9H2,1-5H3,(H,18,22)(H,19,21)/t10-/m1/s1
InChIKeyOHOZNDMDHNBLLW-SNVBAGLBSA-N
MW333.39 g/mol
LogP1.39
Rot. Bonds3

About (2R)-N-[2-(tert-butylamino)-2-oxoethyl]-N,2-dimethyl-3-oxo-4H-1,4-benzoxazine-8-carboxamide

(2R)-N-[2-(tert-butylamino)-2-oxoethyl]-N,2-dimethyl-3-oxo-4H-1,4-benzoxazine-8-carboxamide (PubChem CID 97022556) has the molecular formula C17H23N3O4 and a molecular weight of 333.39 g/mol. Its IUPAC name is (2R)-N-[2-(tert-butylamino)-2-oxoethyl]-N,2-dimethyl-3-oxo-4H-1,4-benzoxazine-8-carboxamide.

Molecular Properties

Compound Name(2R)-N-[2-(tert-butylamino)-2-oxoethyl]-N,2-dimethyl-3-oxo-4H-1,4-benzoxazine-8-carboxamide
PubChem CID97022556
Molecular FormulaC17H23N3O4
Molecular Weight333.39 g/mol
Exact Mass333.17
IUPAC Name(2R)-N-[2-(tert-butylamino)-2-oxoethyl]-N,2-dimethyl-3-oxo-4H-1,4-benzoxazine-8-carboxamide
SMILESC[C@H]1Oc2c(cccc2C(=O)N(C)CC(=O)NC(C)(C)C)NC1=O
InChIInChI=1S/C17H23N3O4/c1-10-15(22)18-12-8-6-7-11(14(12)24-10)16(23)20(5)9-13(21)19-17(2,3)4/h6-8,10H,9H2,1-5H3,(H,18,22)(H,19,21)/t10-/m1/s1
InChIKeyOHOZNDMDHNBLLW-SNVBAGLBSA-N
XLogP1.39
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-[2-(tert-butylamino)-2-oxoethyl]-N,2-dimethyl-3-oxo-4H-1,4-benzoxazine-8-carboxamide?
The IUPAC name of (2R)-N-[2-(tert-butylamino)-2-oxoethyl]-N,2-dimethyl-3-oxo-4H-1,4-benzoxazine-8-carboxamide (CID 97022556) is (2R)-N-[2-(tert-butylamino)-2-oxoethyl]-N,2-dimethyl-3-oxo-4H-1,4-benzoxazine-8-carboxamide.
What is the SMILES notation for (2R)-N-[2-(tert-butylamino)-2-oxoethyl]-N,2-dimethyl-3-oxo-4H-1,4-benzoxazine-8-carboxamide?
The canonical SMILES for (2R)-N-[2-(tert-butylamino)-2-oxoethyl]-N,2-dimethyl-3-oxo-4H-1,4-benzoxazine-8-carboxamide is C[C@H]1Oc2c(cccc2C(=O)N(C)CC(=O)NC(C)(C)C)NC1=O.
What is the InChIKey of (2R)-N-[2-(tert-butylamino)-2-oxoethyl]-N,2-dimethyl-3-oxo-4H-1,4-benzoxazine-8-carboxamide?
The InChIKey is OHOZNDMDHNBLLW-SNVBAGLBSA-N. The full InChI is InChI=1S/C17H23N3O4/c1-10-15(22)18-12-8-6-7-11(14(12)24-10)16(23)20(5)9-13(21)19-17(2,3)4/h6-8,10H,9H2,1-5H3,(H,18,22)(H,19,21)/t10-/m1/s1.
What are the key properties of (2R)-N-[2-(tert-butylamino)-2-oxoethyl]-N,2-dimethyl-3-oxo-4H-1,4-benzoxazine-8-carboxamide?
(2R)-N-[2-(tert-butylamino)-2-oxoethyl]-N,2-dimethyl-3-oxo-4H-1,4-benzoxazine-8-carboxamide has a molecular weight of 333.39 g/mol, XLogP of 1.39, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[2-(tert-butylamino)-2-oxoethyl]-N,2-dimethyl-3-oxo-4H-1,4-benzoxazine-8-carboxamide is sourced from PubChem (CID 97022556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).