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

C20H24N2O4 — CID 4027391

IUPACN-hexyl-5-[(3-oxo-1,4-benzoxazin-4-yl)methyl]furan-2-carboxamide
SMILESCCCCCCNC(=O)c1ccc(CN2C(=O)COc3ccccc32)o1
InChIInChI=1S/C20H24N2O4/c1-2-3-4-7-12-21-20(24)18-11-10-15(26-18)13-22-16-8-5-6-9-17(16)25-14-19(22)23/h5-6,8-11H,2-4,7,12-14H2,1H3,(H,21,24)
InChIKeyVHYMHUXTHRQMEX-UHFFFAOYSA-N
MW356.42 g/mol
LogP3.52
Rot. Bonds8

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

N-hexyl-5-[(3-oxo-1,4-benzoxazin-4-yl)methyl]furan-2-carboxamide (PubChem CID 4027391) has the molecular formula C20H24N2O4 and a molecular weight of 356.42 g/mol. Its IUPAC name is N-hexyl-5-[(3-oxo-1,4-benzoxazin-4-yl)methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-hexyl-5-[(3-oxo-1,4-benzoxazin-4-yl)methyl]furan-2-carboxamide
PubChem CID4027391
Molecular FormulaC20H24N2O4
Molecular Weight356.42 g/mol
Exact Mass356.17
IUPAC NameN-hexyl-5-[(3-oxo-1,4-benzoxazin-4-yl)methyl]furan-2-carboxamide
SMILESCCCCCCNC(=O)c1ccc(CN2C(=O)COc3ccccc32)o1
InChIInChI=1S/C20H24N2O4/c1-2-3-4-7-12-21-20(24)18-11-10-15(26-18)13-22-16-8-5-6-9-17(16)25-14-19(22)23/h5-6,8-11H,2-4,7,12-14H2,1H3,(H,21,24)
InChIKeyVHYMHUXTHRQMEX-UHFFFAOYSA-N
XLogP3.52
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.42
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-hexyl-5-[(3-oxo-1,4-benzoxazin-4-yl)methyl]furan-2-carboxamide with MolForge

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Related Compounds

N-(2-methoxyethyl)-5-[(3-oxo-1,4-benzoxazin-4-yl)methyl]furan-2-carboxamide
CID 42786181
N-(3-morpholin-4-ylpropyl)-5-[(3-oxo-1,4-benzoxazin-4-yl)methyl]furan-2-carboxamide
CID 4274569
1-hexyl-2-methyl-3-[3-(3-oxo-1,4-benzoxazin-4-yl)propyl]guanidine
CID 111772634
N-hexyl-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide
CID 19414016
N-(2-methoxyethyl)-5-[[6-(2-methylbutan-2-yl)-3-oxo-1,4-benzoxazin-4-yl]methyl]furan-2-carboxamide
CID 5222225
5-[[6-(2-methylbutan-2-yl)-3-oxo-1,4-benzoxazin-4-yl]methyl]-N-(2-pyridin-2-ylethyl)furan-2-carboxamide
CID 42788114
5-(aminomethyl)-N-octylfuran-2-carboxamide
CID 115567865
N-butyl-5-(pyrazol-1-ylmethyl)furan-2-carboxamide
CID 19463195
N'-[2-(3-oxo-1,4-benzoxazin-4-yl)acetyl]-5-(phenoxymethyl)furan-2-carbohydrazide
CID 18120641
5-[[6-[2-(3-chlorophenoxy)acetyl]-3-oxo-1,4-benzoxazin-4-yl]methyl]-N-(2-methoxyethyl)furan-2-carboxamide
CID 46034362
benzyl-butyl-[3-[[2-(3-oxo-1,4-benzoxazin-4-yl)acetyl]amino]propyl]azanium
CID 3324481
methyl 4-[(3-oxo-1,4-benzoxazin-4-yl)methyl]benzoate
CID 17047028

Frequently Asked Questions

What is the IUPAC name of N-hexyl-5-[(3-oxo-1,4-benzoxazin-4-yl)methyl]furan-2-carboxamide?
The IUPAC name of N-hexyl-5-[(3-oxo-1,4-benzoxazin-4-yl)methyl]furan-2-carboxamide (CID 4027391) is N-hexyl-5-[(3-oxo-1,4-benzoxazin-4-yl)methyl]furan-2-carboxamide.
What is the SMILES notation for N-hexyl-5-[(3-oxo-1,4-benzoxazin-4-yl)methyl]furan-2-carboxamide?
The canonical SMILES for N-hexyl-5-[(3-oxo-1,4-benzoxazin-4-yl)methyl]furan-2-carboxamide is CCCCCCNC(=O)c1ccc(CN2C(=O)COc3ccccc32)o1.
What is the InChIKey of N-hexyl-5-[(3-oxo-1,4-benzoxazin-4-yl)methyl]furan-2-carboxamide?
The InChIKey is VHYMHUXTHRQMEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4/c1-2-3-4-7-12-21-20(24)18-11-10-15(26-18)13-22-16-8-5-6-9-17(16)25-14-19(22)23/h5-6,8-11H,2-4,7,12-14H2,1H3,(H,21,24).
What are the key properties of N-hexyl-5-[(3-oxo-1,4-benzoxazin-4-yl)methyl]furan-2-carboxamide?
N-hexyl-5-[(3-oxo-1,4-benzoxazin-4-yl)methyl]furan-2-carboxamide has a molecular weight of 356.42 g/mol, XLogP of 3.52, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexyl-5-[(3-oxo-1,4-benzoxazin-4-yl)methyl]furan-2-carboxamide is sourced from PubChem (CID 4027391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).