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

C15H20N2O3 — CID 18132070

IUPACN-butyl-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide
SMILESCCCCNC(=O)CN1C(=O)C(C)Oc2ccccc21
InChIInChI=1S/C15H20N2O3/c1-3-4-9-16-14(18)10-17-12-7-5-6-8-13(12)20-11(2)15(17)19/h5-8,11H,3-4,9-10H2,1-2H3,(H,16,18)
InChIKeyKLGZGKDBTLCSFF-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.72
Rot. Bonds5

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

N-butyl-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide (PubChem CID 18132070) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is N-butyl-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide.

Molecular Properties

Compound NameN-butyl-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide
PubChem CID18132070
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC NameN-butyl-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide
SMILESCCCCNC(=O)CN1C(=O)C(C)Oc2ccccc21
InChIInChI=1S/C15H20N2O3/c1-3-4-9-16-14(18)10-17-12-7-5-6-8-13(12)20-11(2)15(17)19/h5-8,11H,3-4,9-10H2,1-2H3,(H,16,18)
InChIKeyKLGZGKDBTLCSFF-UHFFFAOYSA-N
XLogP1.72
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-butoxypropyl)-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide
CID 43037553
N-[2-(ethylamino)ethyl]-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide;hydrochloride
CID 119507397
N-[2-(methylamino)ethyl]-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide;hydrochloride
CID 119502456
N-(2-benzylsulfanylethyl)-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide
CID 18132115
2-[(2S)-2-ethyl-3-oxo-1,4-benzoxazin-4-yl]-N-heptylacetamide
CID 92853475
2-[(2R)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]acetohydrazide
CID 28520009
2-[(2R)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]-N-(2-thiophen-2-ylethyl)acetamide
CID 51535849
2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-[2-(4-methylphenyl)sulfanylethyl]acetamide
CID 18132156
2-[(2R)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]-N-prop-2-enylacetamide
CID 7437477
2-methyl-4-pentyl-1,4-benzoxazin-3-one
CID 117007341
2-[(2R)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]-N-propan-2-ylacetamide
CID 7437484
N-[(2S)-butan-2-yl]-2-[(2S)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]acetamide
CID 28522105

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide?
The IUPAC name of N-butyl-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide (CID 18132070) is N-butyl-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide.
What is the SMILES notation for N-butyl-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide?
The canonical SMILES for N-butyl-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide is CCCCNC(=O)CN1C(=O)C(C)Oc2ccccc21.
What is the InChIKey of N-butyl-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide?
The InChIKey is KLGZGKDBTLCSFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-3-4-9-16-14(18)10-17-12-7-5-6-8-13(12)20-11(2)15(17)19/h5-8,11H,3-4,9-10H2,1-2H3,(H,16,18).
What are the key properties of N-butyl-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide?
N-butyl-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide has a molecular weight of 276.34 g/mol, XLogP of 1.72, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide is sourced from PubChem (CID 18132070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).