4-methyl-N-[4-(oxan-2-ylmethoxy)phenyl]-3-oxo-1,4-benzoxazine-6-carboxamide

C22H24N2O5 — CID 131916676

IUPAC4-methyl-N-[4-(oxan-2-ylmethoxy)phenyl]-3-oxo-1,4-benzoxazine-6-carboxamide
SMILESCN1C(=O)COc2ccc(C(=O)Nc3ccc(OCC4CCCCO4)cc3)cc21
InChIInChI=1S/C22H24N2O5/c1-24-19-12-15(5-10-20(19)29-14-21(24)25)22(26)23-16-6-8-17(9-7-16)28-13-18-4-2-3-11-27-18/h5-10,12,18H,2-4,11,13-14H2,1H3,(H,23,26)
InChIKeyKKADOLHJDJVKKT-UHFFFAOYSA-N
MW396.44 g/mol
LogP3.24
Rot. Bonds5

About 4-methyl-N-[4-(oxan-2-ylmethoxy)phenyl]-3-oxo-1,4-benzoxazine-6-carboxamide

4-methyl-N-[4-(oxan-2-ylmethoxy)phenyl]-3-oxo-1,4-benzoxazine-6-carboxamide (PubChem CID 131916676) has the molecular formula C22H24N2O5 and a molecular weight of 396.44 g/mol. Its IUPAC name is 4-methyl-N-[4-(oxan-2-ylmethoxy)phenyl]-3-oxo-1,4-benzoxazine-6-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[4-(oxan-2-ylmethoxy)phenyl]-3-oxo-1,4-benzoxazine-6-carboxamide
PubChem CID131916676
Molecular FormulaC22H24N2O5
Molecular Weight396.44 g/mol
Exact Mass396.17
IUPAC Name4-methyl-N-[4-(oxan-2-ylmethoxy)phenyl]-3-oxo-1,4-benzoxazine-6-carboxamide
SMILESCN1C(=O)COc2ccc(C(=O)Nc3ccc(OCC4CCCCO4)cc3)cc21
InChIInChI=1S/C22H24N2O5/c1-24-19-12-15(5-10-20(19)29-14-21(24)25)22(26)23-16-6-8-17(9-7-16)28-13-18-4-2-3-11-27-18/h5-10,12,18H,2-4,11,13-14H2,1H3,(H,23,26)
InChIKeyKKADOLHJDJVKKT-UHFFFAOYSA-N
XLogP3.24
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.44
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-methyl-N-[4-(oxan-2-ylmethoxy)phenyl]-3-oxo-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

Related Compounds

N-(4-acetamidophenyl)-4-[[(2R)-oxolan-2-yl]methoxy]benzamide
CID 40642293
4-(4-methylpiperazin-1-yl)-N-[4-(oxan-2-ylmethoxy)phenyl]benzamide
CID 131944928
4-methyl-N-[4-(oxolan-2-ylmethoxy)phenyl]benzamide
CID 4957909
3-[[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]carbamoyl]benzoic acid
CID 129465786
1-methyl-N-[4-(oxolan-2-ylmethoxy)phenyl]benzimidazole-5-carboxamide
CID 131938687
4-(2-methoxyethoxy)-N-[4-[[(2R)-oxolan-2-yl]methoxy]phenyl]benzamide
CID 40796712
methyl 4-[[4-(oxolan-2-ylmethoxy)benzoyl]amino]benzoate
CID 17222269
N-[4-[(3aR,6aR)-5-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-1-yl]phenyl]-4-(oxan-2-ylmethoxy)benzamide
CID 59558029
1,6-dimethyl-N-[4-(oxan-2-ylmethoxy)phenyl]-2-oxopyridine-3-carboxamide
CID 131893315
N-(3-chloro-4-methylphenyl)-4-methyl-3-oxo-1,4-benzoxazine-6-carboxamide
CID 110763897
N-(3,4-dimethylphenyl)-4-[[(2S)-oxolan-2-yl]methoxy]benzamide
CID 42580258
4-[[4-(oxolan-2-ylmethoxy)benzoyl]amino]benzamide
CID 4786441

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[4-(oxan-2-ylmethoxy)phenyl]-3-oxo-1,4-benzoxazine-6-carboxamide?
The IUPAC name of 4-methyl-N-[4-(oxan-2-ylmethoxy)phenyl]-3-oxo-1,4-benzoxazine-6-carboxamide (CID 131916676) is 4-methyl-N-[4-(oxan-2-ylmethoxy)phenyl]-3-oxo-1,4-benzoxazine-6-carboxamide.
What is the SMILES notation for 4-methyl-N-[4-(oxan-2-ylmethoxy)phenyl]-3-oxo-1,4-benzoxazine-6-carboxamide?
The canonical SMILES for 4-methyl-N-[4-(oxan-2-ylmethoxy)phenyl]-3-oxo-1,4-benzoxazine-6-carboxamide is CN1C(=O)COc2ccc(C(=O)Nc3ccc(OCC4CCCCO4)cc3)cc21.
What is the InChIKey of 4-methyl-N-[4-(oxan-2-ylmethoxy)phenyl]-3-oxo-1,4-benzoxazine-6-carboxamide?
The InChIKey is KKADOLHJDJVKKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O5/c1-24-19-12-15(5-10-20(19)29-14-21(24)25)22(26)23-16-6-8-17(9-7-16)28-13-18-4-2-3-11-27-18/h5-10,12,18H,2-4,11,13-14H2,1H3,(H,23,26).
What are the key properties of 4-methyl-N-[4-(oxan-2-ylmethoxy)phenyl]-3-oxo-1,4-benzoxazine-6-carboxamide?
4-methyl-N-[4-(oxan-2-ylmethoxy)phenyl]-3-oxo-1,4-benzoxazine-6-carboxamide has a molecular weight of 396.44 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[4-(oxan-2-ylmethoxy)phenyl]-3-oxo-1,4-benzoxazine-6-carboxamide is sourced from PubChem (CID 131916676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).