N-butyl-4-ethyl-2-methyl-3-oxo-1,4-benzoxazine-2-carboxamide

C16H22N2O3 — CID 75768303

IUPACN-butyl-4-ethyl-2-methyl-3-oxo-1,4-benzoxazine-2-carboxamide
SMILESCCCCNC(=O)C1(C)Oc2ccccc2N(CC)C1=O
InChIInChI=1S/C16H22N2O3/c1-4-6-11-17-14(19)16(3)15(20)18(5-2)12-9-7-8-10-13(12)21-16/h7-10H,4-6,11H2,1-3H3,(H,17,19)
InChIKeyMAAXKNOBZIDVKC-UHFFFAOYSA-N
MW290.36 g/mol
LogP2.11
Rot. Bonds5

About N-butyl-4-ethyl-2-methyl-3-oxo-1,4-benzoxazine-2-carboxamide

N-butyl-4-ethyl-2-methyl-3-oxo-1,4-benzoxazine-2-carboxamide (PubChem CID 75768303) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is N-butyl-4-ethyl-2-methyl-3-oxo-1,4-benzoxazine-2-carboxamide.

Molecular Properties

Compound NameN-butyl-4-ethyl-2-methyl-3-oxo-1,4-benzoxazine-2-carboxamide
PubChem CID75768303
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC NameN-butyl-4-ethyl-2-methyl-3-oxo-1,4-benzoxazine-2-carboxamide
SMILESCCCCNC(=O)C1(C)Oc2ccccc2N(CC)C1=O
InChIInChI=1S/C16H22N2O3/c1-4-6-11-17-14(19)16(3)15(20)18(5-2)12-9-7-8-10-13(12)21-16/h7-10H,4-6,11H2,1-3H3,(H,17,19)
InChIKeyMAAXKNOBZIDVKC-UHFFFAOYSA-N
XLogP2.11
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

N-[2-(4-chlorophenyl)ethyl]-4-ethyl-2-methyl-3-oxo-1,4-benzoxazine-2-carboxamide
CID 75768405
N-[2-(benzimidazol-1-yl)ethyl]-4-ethyl-2-methyl-3-oxo-1,4-benzoxazine-2-carboxamide
CID 75768370
4-ethyl-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-2-methyl-3-oxo-1,4-benzoxazine-2-carboxamide
CID 75768436
N-(3,5-dimethyl-1,2-thiazol-4-yl)-4-ethyl-2-methyl-3-oxo-1,4-benzoxazine-2-carboxamide
CID 75768433
methyl 4-[(4-ethyl-2-methyl-3-oxo-1,4-benzoxazine-2-carbonyl)amino]-1,3-dimethylpyrazole-5-carboxylate
CID 75769453
4-ethyl-2-methyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-3-oxo-1,4-benzoxazine-2-carboxamide
CID 75769832
4-ethyl-2-methyl-2-[4-[(4-methylphenyl)methyl]piperazine-1-carbonyl]-1,4-benzoxazin-3-one
CID 75768416
4-ethyl-2-[4-(2-fluorophenyl)piperazine-1-carbonyl]-2-methyl-1,4-benzoxazin-3-one
CID 75768350
4-ethyl-2-methyl-2-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-1,4-benzoxazin-3-one
CID 75768443
4-ethyl-2-methyl-N-(2-methyl-1,3-benzothiazol-6-yl)-3-oxo-1,4-benzoxazine-2-carboxamide
CID 75768290
4-ethyl-N-(furan-2-ylmethyl)-N,2-dimethyl-3-oxo-1,4-benzoxazine-2-carboxamide
CID 75768333
4-ethyl-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-methyl-3-oxo-1,4-benzoxazine-2-carboxamide
CID 75769822

Frequently Asked Questions

What is the IUPAC name of N-butyl-4-ethyl-2-methyl-3-oxo-1,4-benzoxazine-2-carboxamide?
The IUPAC name of N-butyl-4-ethyl-2-methyl-3-oxo-1,4-benzoxazine-2-carboxamide (CID 75768303) is N-butyl-4-ethyl-2-methyl-3-oxo-1,4-benzoxazine-2-carboxamide.
What is the SMILES notation for N-butyl-4-ethyl-2-methyl-3-oxo-1,4-benzoxazine-2-carboxamide?
The canonical SMILES for N-butyl-4-ethyl-2-methyl-3-oxo-1,4-benzoxazine-2-carboxamide is CCCCNC(=O)C1(C)Oc2ccccc2N(CC)C1=O.
What is the InChIKey of N-butyl-4-ethyl-2-methyl-3-oxo-1,4-benzoxazine-2-carboxamide?
The InChIKey is MAAXKNOBZIDVKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-4-6-11-17-14(19)16(3)15(20)18(5-2)12-9-7-8-10-13(12)21-16/h7-10H,4-6,11H2,1-3H3,(H,17,19).
What are the key properties of N-butyl-4-ethyl-2-methyl-3-oxo-1,4-benzoxazine-2-carboxamide?
N-butyl-4-ethyl-2-methyl-3-oxo-1,4-benzoxazine-2-carboxamide has a molecular weight of 290.36 g/mol, XLogP of 2.11, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-4-ethyl-2-methyl-3-oxo-1,4-benzoxazine-2-carboxamide is sourced from PubChem (CID 75768303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).