4-hexoxy-3-methoxy-N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]benzamide

C23H28N2O5 — CID 9145193

IUPAC4-hexoxy-3-methoxy-N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]benzamide
SMILESCCCCCCOc1ccc(C(=O)Nc2ccc3c(c2)NC(=O)[C@@H](C)O3)cc1OC
InChIInChI=1S/C23H28N2O5/c1-4-5-6-7-12-29-20-10-8-16(13-21(20)28-3)23(27)24-17-9-11-19-18(14-17)25-22(26)15(2)30-19/h8-11,13-15H,4-7,12H2,1-3H3,(H,24,27)(H,25,26)/t15-/m1/s1
InChIKeyREEGXDGVJBANOD-OAHLLOKOSA-N
MW412.49 g/mol
LogP4.63
Rot. Bonds9

About 4-hexoxy-3-methoxy-N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]benzamide

4-hexoxy-3-methoxy-N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]benzamide (PubChem CID 9145193) has the molecular formula C23H28N2O5 and a molecular weight of 412.49 g/mol. Its IUPAC name is 4-hexoxy-3-methoxy-N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]benzamide.

Molecular Properties

Compound Name4-hexoxy-3-methoxy-N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]benzamide
PubChem CID9145193
Molecular FormulaC23H28N2O5
Molecular Weight412.49 g/mol
Exact Mass412.20
IUPAC Name4-hexoxy-3-methoxy-N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]benzamide
SMILESCCCCCCOc1ccc(C(=O)Nc2ccc3c(c2)NC(=O)[C@@H](C)O3)cc1OC
InChIInChI=1S/C23H28N2O5/c1-4-5-6-7-12-29-20-10-8-16(13-21(20)28-3)23(27)24-17-9-11-19-18(14-17)25-22(26)15(2)30-19/h8-11,13-15H,4-7,12H2,1-3H3,(H,24,27)(H,25,26)/t15-/m1/s1
InChIKeyREEGXDGVJBANOD-OAHLLOKOSA-N
XLogP4.63
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.49
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-hexoxy-3-methoxy-N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]benzamide with MolForge

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Launch Full Analysis

Related Compounds

4-(difluoromethoxy)-3-methoxy-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)benzamide
CID 43014034
3-bromo-4-methoxy-N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]benzamide
CID 9147464
2-butoxy-N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]benzamide
CID 35574920
3-ethoxy-N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-4-(2-methylpropoxy)benzamide
CID 9145525
N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-2-propoxybenzamide
CID 35574928
4-hexoxy-3-methoxy-N-pyridin-4-ylbenzamide
CID 60589873
4-(diethylamino)-N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]benzamide
CID 40973912
2-(2-methoxyphenoxy)-N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]acetamide
CID 9145221
N-(4-acetamidophenyl)-2-methyl-3-oxo-4H-1,4-benzoxazine-6-carboxamide
CID 110683124
N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-1,3-benzodioxole-5-carboxamide
CID 9145088
N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]naphthalene-2-carboxamide
CID 9145051
N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-3H-benzimidazole-5-carboxamide
CID 25350582

Frequently Asked Questions

What is the IUPAC name of 4-hexoxy-3-methoxy-N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]benzamide?
The IUPAC name of 4-hexoxy-3-methoxy-N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]benzamide (CID 9145193) is 4-hexoxy-3-methoxy-N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]benzamide.
What is the SMILES notation for 4-hexoxy-3-methoxy-N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]benzamide?
The canonical SMILES for 4-hexoxy-3-methoxy-N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]benzamide is CCCCCCOc1ccc(C(=O)Nc2ccc3c(c2)NC(=O)[C@@H](C)O3)cc1OC.
What is the InChIKey of 4-hexoxy-3-methoxy-N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]benzamide?
The InChIKey is REEGXDGVJBANOD-OAHLLOKOSA-N. The full InChI is InChI=1S/C23H28N2O5/c1-4-5-6-7-12-29-20-10-8-16(13-21(20)28-3)23(27)24-17-9-11-19-18(14-17)25-22(26)15(2)30-19/h8-11,13-15H,4-7,12H2,1-3H3,(H,24,27)(H,25,26)/t15-/m1/s1.
What are the key properties of 4-hexoxy-3-methoxy-N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]benzamide?
4-hexoxy-3-methoxy-N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]benzamide has a molecular weight of 412.49 g/mol, XLogP of 4.63, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hexoxy-3-methoxy-N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]benzamide is sourced from PubChem (CID 9145193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).