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

C20H22N2O4 — CID 35574920

IUPAC2-butoxy-N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]benzamide
SMILESCCCCOc1ccccc1C(=O)Nc1ccc2c(c1)NC(=O)[C@@H](C)O2
InChIInChI=1S/C20H22N2O4/c1-3-4-11-25-17-8-6-5-7-15(17)20(24)21-14-9-10-18-16(12-14)22-19(23)13(2)26-18/h5-10,12-13H,3-4,11H2,1-2H3,(H,21,24)(H,22,23)/t13-/m1/s1
InChIKeyOXBFEAWDUIVZLG-CYBMUJFWSA-N
MW354.41 g/mol
LogP3.84
Rot. Bonds6

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

2-butoxy-N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]benzamide (PubChem CID 35574920) has the molecular formula C20H22N2O4 and a molecular weight of 354.41 g/mol. Its IUPAC name is 2-butoxy-N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]benzamide.

Molecular Properties

Compound Name2-butoxy-N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]benzamide
PubChem CID35574920
Molecular FormulaC20H22N2O4
Molecular Weight354.41 g/mol
Exact Mass354.16
IUPAC Name2-butoxy-N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]benzamide
SMILESCCCCOc1ccccc1C(=O)Nc1ccc2c(c1)NC(=O)[C@@H](C)O2
InChIInChI=1S/C20H22N2O4/c1-3-4-11-25-17-8-6-5-7-15(17)20(24)21-14-9-10-18-16(12-14)22-19(23)13(2)26-18/h5-10,12-13H,3-4,11H2,1-2H3,(H,21,24)(H,22,23)/t13-/m1/s1
InChIKeyOXBFEAWDUIVZLG-CYBMUJFWSA-N
XLogP3.84
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-2-propoxybenzamide
CID 35574928
2-hydroxy-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)benzamide
CID 18129767
2-ethoxy-N-[4-[[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]amino]-4-oxobutyl]benzamide
CID 9148068
N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]naphthalene-1-carboxamide
CID 41096038
4-hexoxy-3-methoxy-N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]benzamide
CID 9145193
2-bromo-N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]benzamide
CID 40810154
2-fluoro-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)benzamide
CID 17413196
2-ethoxy-N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]pyridine-3-carboxamide
CID 41036803
2,4-dimethoxy-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)benzamide
CID 17392422
3-methoxy-N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]naphthalene-2-carboxamide
CID 9145079
2-(difluoromethoxy)-N-[2-[[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]amino]-2-oxoethyl]benzamide
CID 9146093
2-(2-methoxyphenoxy)-N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]acetamide
CID 9145221

Frequently Asked Questions

What is the IUPAC name of 2-butoxy-N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]benzamide?
The IUPAC name of 2-butoxy-N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]benzamide (CID 35574920) is 2-butoxy-N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]benzamide.
What is the SMILES notation for 2-butoxy-N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]benzamide?
The canonical SMILES for 2-butoxy-N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]benzamide is CCCCOc1ccccc1C(=O)Nc1ccc2c(c1)NC(=O)[C@@H](C)O2.
What is the InChIKey of 2-butoxy-N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]benzamide?
The InChIKey is OXBFEAWDUIVZLG-CYBMUJFWSA-N. The full InChI is InChI=1S/C20H22N2O4/c1-3-4-11-25-17-8-6-5-7-15(17)20(24)21-14-9-10-18-16(12-14)22-19(23)13(2)26-18/h5-10,12-13H,3-4,11H2,1-2H3,(H,21,24)(H,22,23)/t13-/m1/s1.
What are the key properties of 2-butoxy-N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]benzamide?
2-butoxy-N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]benzamide has a molecular weight of 354.41 g/mol, XLogP of 3.84, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butoxy-N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]benzamide is sourced from PubChem (CID 35574920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).