N-(2-methoxyethyl)-5-[(3-oxo-1,4-benzoxazin-4-yl)methyl]furan-2-carboxamide

C17H18N2O5 — CID 42786181

IUPACN-(2-methoxyethyl)-5-[(3-oxo-1,4-benzoxazin-4-yl)methyl]furan-2-carboxamide
SMILESCOCCNC(=O)c1ccc(CN2C(=O)COc3ccccc32)o1
InChIInChI=1S/C17H18N2O5/c1-22-9-8-18-17(21)15-7-6-12(24-15)10-19-13-4-2-3-5-14(13)23-11-16(19)20/h2-7H,8-11H2,1H3,(H,18,21)
InChIKeyHBIOQQSZXDDQFI-UHFFFAOYSA-N
MW330.34 g/mol
LogP1.58
Rot. Bonds6

About N-(2-methoxyethyl)-5-[(3-oxo-1,4-benzoxazin-4-yl)methyl]furan-2-carboxamide

N-(2-methoxyethyl)-5-[(3-oxo-1,4-benzoxazin-4-yl)methyl]furan-2-carboxamide (PubChem CID 42786181) has the molecular formula C17H18N2O5 and a molecular weight of 330.34 g/mol. Its IUPAC name is N-(2-methoxyethyl)-5-[(3-oxo-1,4-benzoxazin-4-yl)methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-5-[(3-oxo-1,4-benzoxazin-4-yl)methyl]furan-2-carboxamide
PubChem CID42786181
Molecular FormulaC17H18N2O5
Molecular Weight330.34 g/mol
Exact Mass330.12
IUPAC NameN-(2-methoxyethyl)-5-[(3-oxo-1,4-benzoxazin-4-yl)methyl]furan-2-carboxamide
SMILESCOCCNC(=O)c1ccc(CN2C(=O)COc3ccccc32)o1
InChIInChI=1S/C17H18N2O5/c1-22-9-8-18-17(21)15-7-6-12(24-15)10-19-13-4-2-3-5-14(13)23-11-16(19)20/h2-7H,8-11H2,1H3,(H,18,21)
InChIKeyHBIOQQSZXDDQFI-UHFFFAOYSA-N
XLogP1.58
TPSA81.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.34
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-hexyl-5-[(3-oxo-1,4-benzoxazin-4-yl)methyl]furan-2-carboxamide
CID 4027391
N-(2-methoxyethyl)-5-[[6-(2-methylbutan-2-yl)-3-oxo-1,4-benzoxazin-4-yl]methyl]furan-2-carboxamide
CID 5222225
N-(3-morpholin-4-ylpropyl)-5-[(3-oxo-1,4-benzoxazin-4-yl)methyl]furan-2-carboxamide
CID 4274569
N-(2-methoxyethyl)-5-[(3-oxo-1,4-benzothiazin-4-yl)methyl]furan-2-carboxamide
CID 42786253
5-[[6-[2-(3-chlorophenoxy)acetyl]-3-oxo-1,4-benzoxazin-4-yl]methyl]-N-(2-methoxyethyl)furan-2-carboxamide
CID 46034362
4-benzyl-N-(2-methoxyethyl)-3-oxo-1,4-benzoxazine-6-carboxamide
CID 53023793
methyl 4-[(3-oxo-1,4-benzoxazin-4-yl)methyl]benzoate
CID 17047028
N-(2-methoxyethyl)-4-[(7-methyl-3-oxo-1,4-benzoxazin-4-yl)methyl]benzamide
CID 3882899
1-(2-methoxyethyl)-2-methyl-3-[3-(3-oxo-1,4-benzoxazin-4-yl)propyl]guanidine
CID 111770494
4-[(4-methoxyphenyl)methyl]-1,4-benzoxazin-3-one
CID 1431724
5-[[6-(2-methylbutan-2-yl)-3-oxo-1,4-benzoxazin-4-yl]methyl]-N-(2-pyridin-2-ylethyl)furan-2-carboxamide
CID 42788114
N'-[2-(3-oxo-1,4-benzoxazin-4-yl)acetyl]-5-(phenoxymethyl)furan-2-carbohydrazide
CID 18120641

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-5-[(3-oxo-1,4-benzoxazin-4-yl)methyl]furan-2-carboxamide?
The IUPAC name of N-(2-methoxyethyl)-5-[(3-oxo-1,4-benzoxazin-4-yl)methyl]furan-2-carboxamide (CID 42786181) is N-(2-methoxyethyl)-5-[(3-oxo-1,4-benzoxazin-4-yl)methyl]furan-2-carboxamide.
What is the SMILES notation for N-(2-methoxyethyl)-5-[(3-oxo-1,4-benzoxazin-4-yl)methyl]furan-2-carboxamide?
The canonical SMILES for N-(2-methoxyethyl)-5-[(3-oxo-1,4-benzoxazin-4-yl)methyl]furan-2-carboxamide is COCCNC(=O)c1ccc(CN2C(=O)COc3ccccc32)o1.
What is the InChIKey of N-(2-methoxyethyl)-5-[(3-oxo-1,4-benzoxazin-4-yl)methyl]furan-2-carboxamide?
The InChIKey is HBIOQQSZXDDQFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O5/c1-22-9-8-18-17(21)15-7-6-12(24-15)10-19-13-4-2-3-5-14(13)23-11-16(19)20/h2-7H,8-11H2,1H3,(H,18,21).
What are the key properties of N-(2-methoxyethyl)-5-[(3-oxo-1,4-benzoxazin-4-yl)methyl]furan-2-carboxamide?
N-(2-methoxyethyl)-5-[(3-oxo-1,4-benzoxazin-4-yl)methyl]furan-2-carboxamide has a molecular weight of 330.34 g/mol, XLogP of 1.58, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-5-[(3-oxo-1,4-benzoxazin-4-yl)methyl]furan-2-carboxamide is sourced from PubChem (CID 42786181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).