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

C20H27N3O5 — CID 652932

IUPAC2,2-dimethyl-4-(2-morpholin-4-yl-2-oxoethyl)-3-oxo-N-propan-2-yl-1,4-benzoxazine-6-carboxamide
SMILESCC(C)NC(=O)c1ccc2c(c1)N(CC(=O)N1CCOCC1)C(=O)C(C)(C)O2
InChIInChI=1S/C20H27N3O5/c1-13(2)21-18(25)14-5-6-16-15(11-14)23(19(26)20(3,4)28-16)12-17(24)22-7-9-27-10-8-22/h5-6,11,13H,7-10,12H2,1-4H3,(H,21,25)
InChIKeyYJPWXUNGAFWKBB-UHFFFAOYSA-N
MW389.45 g/mol
LogP1.19
Rot. Bonds4

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

2,2-dimethyl-4-(2-morpholin-4-yl-2-oxoethyl)-3-oxo-N-propan-2-yl-1,4-benzoxazine-6-carboxamide (PubChem CID 652932) has the molecular formula C20H27N3O5 and a molecular weight of 389.45 g/mol. Its IUPAC name is 2,2-dimethyl-4-(2-morpholin-4-yl-2-oxoethyl)-3-oxo-N-propan-2-yl-1,4-benzoxazine-6-carboxamide.

Molecular Properties

Compound Name2,2-dimethyl-4-(2-morpholin-4-yl-2-oxoethyl)-3-oxo-N-propan-2-yl-1,4-benzoxazine-6-carboxamide
PubChem CID652932
Molecular FormulaC20H27N3O5
Molecular Weight389.45 g/mol
Exact Mass389.20
IUPAC Name2,2-dimethyl-4-(2-morpholin-4-yl-2-oxoethyl)-3-oxo-N-propan-2-yl-1,4-benzoxazine-6-carboxamide
SMILESCC(C)NC(=O)c1ccc2c(c1)N(CC(=O)N1CCOCC1)C(=O)C(C)(C)O2
InChIInChI=1S/C20H27N3O5/c1-13(2)21-18(25)14-5-6-16-15(11-14)23(19(26)20(3,4)28-16)12-17(24)22-7-9-27-10-8-22/h5-6,11,13H,7-10,12H2,1-4H3,(H,21,25)
InChIKeyYJPWXUNGAFWKBB-UHFFFAOYSA-N
XLogP1.19
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.45
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2,2-dimethyl-4-(2-morpholin-4-yl-2-oxoethyl)-3-oxo-N-propan-2-yl-1,4-benzoxazine-6-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-4-(2-morpholin-4-yl-2-oxoethyl)-3-oxo-N-propan-2-yl-1,4-benzoxazine-6-carboxamide?
The IUPAC name of 2,2-dimethyl-4-(2-morpholin-4-yl-2-oxoethyl)-3-oxo-N-propan-2-yl-1,4-benzoxazine-6-carboxamide (CID 652932) is 2,2-dimethyl-4-(2-morpholin-4-yl-2-oxoethyl)-3-oxo-N-propan-2-yl-1,4-benzoxazine-6-carboxamide.
What is the SMILES notation for 2,2-dimethyl-4-(2-morpholin-4-yl-2-oxoethyl)-3-oxo-N-propan-2-yl-1,4-benzoxazine-6-carboxamide?
The canonical SMILES for 2,2-dimethyl-4-(2-morpholin-4-yl-2-oxoethyl)-3-oxo-N-propan-2-yl-1,4-benzoxazine-6-carboxamide is CC(C)NC(=O)c1ccc2c(c1)N(CC(=O)N1CCOCC1)C(=O)C(C)(C)O2.
What is the InChIKey of 2,2-dimethyl-4-(2-morpholin-4-yl-2-oxoethyl)-3-oxo-N-propan-2-yl-1,4-benzoxazine-6-carboxamide?
The InChIKey is YJPWXUNGAFWKBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O5/c1-13(2)21-18(25)14-5-6-16-15(11-14)23(19(26)20(3,4)28-16)12-17(24)22-7-9-27-10-8-22/h5-6,11,13H,7-10,12H2,1-4H3,(H,21,25).
What are the key properties of 2,2-dimethyl-4-(2-morpholin-4-yl-2-oxoethyl)-3-oxo-N-propan-2-yl-1,4-benzoxazine-6-carboxamide?
2,2-dimethyl-4-(2-morpholin-4-yl-2-oxoethyl)-3-oxo-N-propan-2-yl-1,4-benzoxazine-6-carboxamide has a molecular weight of 389.45 g/mol, XLogP of 1.19, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-4-(2-morpholin-4-yl-2-oxoethyl)-3-oxo-N-propan-2-yl-1,4-benzoxazine-6-carboxamide is sourced from PubChem (CID 652932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).