N-butyl-N-ethyl-2-(6-methyl-2-oxo-3H-1,4-benzoxazin-4-yl)acetamide

C17H24N2O3 — CID 39068863

IUPACN-butyl-N-ethyl-2-(6-methyl-2-oxo-3H-1,4-benzoxazin-4-yl)acetamide
SMILESCCCCN(CC)C(=O)CN1CC(=O)Oc2ccc(C)cc21
InChIInChI=1S/C17H24N2O3/c1-4-6-9-18(5-2)16(20)11-19-12-17(21)22-15-8-7-13(3)10-14(15)19/h7-8,10H,4-6,9,11-12H2,1-3H3
InChIKeyANCSQVFAWKAJIV-UHFFFAOYSA-N
MW304.39 g/mol
LogP2.37
Rot. Bonds6

About N-butyl-N-ethyl-2-(6-methyl-2-oxo-3H-1,4-benzoxazin-4-yl)acetamide

N-butyl-N-ethyl-2-(6-methyl-2-oxo-3H-1,4-benzoxazin-4-yl)acetamide (PubChem CID 39068863) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is N-butyl-N-ethyl-2-(6-methyl-2-oxo-3H-1,4-benzoxazin-4-yl)acetamide.

Molecular Properties

Compound NameN-butyl-N-ethyl-2-(6-methyl-2-oxo-3H-1,4-benzoxazin-4-yl)acetamide
PubChem CID39068863
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC NameN-butyl-N-ethyl-2-(6-methyl-2-oxo-3H-1,4-benzoxazin-4-yl)acetamide
SMILESCCCCN(CC)C(=O)CN1CC(=O)Oc2ccc(C)cc21
InChIInChI=1S/C17H24N2O3/c1-4-6-9-18(5-2)16(20)11-19-12-17(21)22-15-8-7-13(3)10-14(15)19/h7-8,10H,4-6,9,11-12H2,1-3H3
InChIKeyANCSQVFAWKAJIV-UHFFFAOYSA-N
XLogP2.37
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N,N-dimethyl-2-(6-methyl-2-oxo-3H-1,4-benzoxazin-4-yl)acetamide
CID 39068928
N-(2-hydroxyethyl)-N-methyl-2-(6-methyl-2-oxo-3H-1,4-benzoxazin-4-yl)acetamide
CID 39068916
N-cyclooctyl-2-(6-methyl-2-oxo-3H-1,4-benzoxazin-4-yl)acetamide
CID 39061409
6-methyl-4-(2-morpholin-4-yl-2-oxoethyl)-3H-1,4-benzoxazin-2-one
CID 39068926
N,N-bis(2-methoxyethyl)-2-(7-methyl-2-oxo-3H-1,4-benzoxazin-4-yl)acetamide
CID 39069187
6-methyl-4-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-3H-1,4-benzoxazin-2-one
CID 39068899
1-[2-(6-methyl-2-oxo-3H-1,4-benzoxazin-4-yl)acetyl]piperidine-4-carboxylic acid
CID 39068831
2-(6-methyl-2-oxo-3H-1,4-benzoxazin-4-yl)-N-(3-methylphenyl)acetamide
CID 39059207
N-ethyl-2-(7-ethylsulfonyl-2-oxo-3H-1,4-benzoxazin-4-yl)-N-(2-hydroxyethyl)acetamide
CID 39069546
N-(2-hydroxyethyl)-N-methyl-2-(7-methyl-2-oxo-3H-1,4-benzoxazin-4-yl)acetamide
CID 39069239
N-tert-butyl-2-(6-chloro-2-oxo-3H-1,4-benzoxazin-4-yl)-N-ethylacetamide
CID 39068952
2-(6-chloro-2-oxo-3H-1,4-benzoxazin-4-yl)-N,N-bis(2-methoxyethyl)acetamide
CID 39069021

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-ethyl-2-(6-methyl-2-oxo-3H-1,4-benzoxazin-4-yl)acetamide?
The IUPAC name of N-butyl-N-ethyl-2-(6-methyl-2-oxo-3H-1,4-benzoxazin-4-yl)acetamide (CID 39068863) is N-butyl-N-ethyl-2-(6-methyl-2-oxo-3H-1,4-benzoxazin-4-yl)acetamide.
What is the SMILES notation for N-butyl-N-ethyl-2-(6-methyl-2-oxo-3H-1,4-benzoxazin-4-yl)acetamide?
The canonical SMILES for N-butyl-N-ethyl-2-(6-methyl-2-oxo-3H-1,4-benzoxazin-4-yl)acetamide is CCCCN(CC)C(=O)CN1CC(=O)Oc2ccc(C)cc21.
What is the InChIKey of N-butyl-N-ethyl-2-(6-methyl-2-oxo-3H-1,4-benzoxazin-4-yl)acetamide?
The InChIKey is ANCSQVFAWKAJIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3/c1-4-6-9-18(5-2)16(20)11-19-12-17(21)22-15-8-7-13(3)10-14(15)19/h7-8,10H,4-6,9,11-12H2,1-3H3.
What are the key properties of N-butyl-N-ethyl-2-(6-methyl-2-oxo-3H-1,4-benzoxazin-4-yl)acetamide?
N-butyl-N-ethyl-2-(6-methyl-2-oxo-3H-1,4-benzoxazin-4-yl)acetamide has a molecular weight of 304.39 g/mol, XLogP of 2.37, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-ethyl-2-(6-methyl-2-oxo-3H-1,4-benzoxazin-4-yl)acetamide is sourced from PubChem (CID 39068863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).