N-butyl-2-(6-hydroxy-2,2-dimethyl-3-oxo-1,4-benzoxazin-4-yl)acetamide

C16H22N2O4 — CID 93211790

IUPACN-butyl-2-(6-hydroxy-2,2-dimethyl-3-oxo-1,4-benzoxazin-4-yl)acetamide
SMILESCCCCNC(=O)CN1C(=O)C(C)(C)Oc2ccc(O)cc21
InChIInChI=1S/C16H22N2O4/c1-4-5-8-17-14(20)10-18-12-9-11(19)6-7-13(12)22-16(2,3)15(18)21/h6-7,9,19H,4-5,8,10H2,1-3H3,(H,17,20)
InChIKeyJAXVWKBJHRJMLU-UHFFFAOYSA-N
MW306.36 g/mol
LogP1.81
Rot. Bonds5

About N-butyl-2-(6-hydroxy-2,2-dimethyl-3-oxo-1,4-benzoxazin-4-yl)acetamide

N-butyl-2-(6-hydroxy-2,2-dimethyl-3-oxo-1,4-benzoxazin-4-yl)acetamide (PubChem CID 93211790) has the molecular formula C16H22N2O4 and a molecular weight of 306.36 g/mol. Its IUPAC name is N-butyl-2-(6-hydroxy-2,2-dimethyl-3-oxo-1,4-benzoxazin-4-yl)acetamide.

Molecular Properties

Compound NameN-butyl-2-(6-hydroxy-2,2-dimethyl-3-oxo-1,4-benzoxazin-4-yl)acetamide
PubChem CID93211790
Molecular FormulaC16H22N2O4
Molecular Weight306.36 g/mol
Exact Mass306.16
IUPAC NameN-butyl-2-(6-hydroxy-2,2-dimethyl-3-oxo-1,4-benzoxazin-4-yl)acetamide
SMILESCCCCNC(=O)CN1C(=O)C(C)(C)Oc2ccc(O)cc21
InChIInChI=1S/C16H22N2O4/c1-4-5-8-17-14(20)10-18-12-9-11(19)6-7-13(12)22-16(2,3)15(18)21/h6-7,9,19H,4-5,8,10H2,1-3H3,(H,17,20)
InChIKeyJAXVWKBJHRJMLU-UHFFFAOYSA-N
XLogP1.81
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.36
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(6-butanoyl-2,2-dimethyl-3-oxo-1,4-benzoxazin-4-yl)-N-butylacetamide
CID 28816413
4-[2-(dimethylamino)ethyl]-6-hydroxy-2,2-dimethyl-1,4-benzoxazin-3-one
CID 82063544
2-(7-hydroxy-2,2-dimethyl-3-oxo-1,4-benzoxazin-4-yl)acetic acid
CID 82063704
methyl 4-hexyl-2,2-dimethyl-3-oxo-1,4-benzoxazine-6-carboxylate
CID 10615590
2-(2,2-diethyl-6-hydroxy-3-oxo-1,4-benzoxazin-4-yl)acetic acid
CID 82162315
6-amino-4-butyl-2,2-dimethyl-1,4-benzoxazin-3-one
CID 28816003
4-[2-(tert-butylamino)-2-oxoethyl]-2,2-dimethyl-N-(2-methylbutan-2-yl)-3-oxo-1,4-benzoxazine-6-carboxamide
CID 3223073
6-acetyl-2,2-dimethyl-4-propyl-1,4-benzoxazin-3-one
CID 28816456
N-butyl-2-[(4S)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 7962151
2-[(4R)-4-(1,3-benzodioxol-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-butylacetamide
CID 7691962
N-butyl-2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)acetamide
CID 15995960
4-[2-(2,6-diethylanilino)-2-oxoethyl]-2,2-dimethyl-3-oxo-N-propan-2-yl-1,4-benzoxazine-6-carboxamide
CID 3223055

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-(6-hydroxy-2,2-dimethyl-3-oxo-1,4-benzoxazin-4-yl)acetamide?
The IUPAC name of N-butyl-2-(6-hydroxy-2,2-dimethyl-3-oxo-1,4-benzoxazin-4-yl)acetamide (CID 93211790) is N-butyl-2-(6-hydroxy-2,2-dimethyl-3-oxo-1,4-benzoxazin-4-yl)acetamide.
What is the SMILES notation for N-butyl-2-(6-hydroxy-2,2-dimethyl-3-oxo-1,4-benzoxazin-4-yl)acetamide?
The canonical SMILES for N-butyl-2-(6-hydroxy-2,2-dimethyl-3-oxo-1,4-benzoxazin-4-yl)acetamide is CCCCNC(=O)CN1C(=O)C(C)(C)Oc2ccc(O)cc21.
What is the InChIKey of N-butyl-2-(6-hydroxy-2,2-dimethyl-3-oxo-1,4-benzoxazin-4-yl)acetamide?
The InChIKey is JAXVWKBJHRJMLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O4/c1-4-5-8-17-14(20)10-18-12-9-11(19)6-7-13(12)22-16(2,3)15(18)21/h6-7,9,19H,4-5,8,10H2,1-3H3,(H,17,20).
What are the key properties of N-butyl-2-(6-hydroxy-2,2-dimethyl-3-oxo-1,4-benzoxazin-4-yl)acetamide?
N-butyl-2-(6-hydroxy-2,2-dimethyl-3-oxo-1,4-benzoxazin-4-yl)acetamide has a molecular weight of 306.36 g/mol, XLogP of 1.81, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-(6-hydroxy-2,2-dimethyl-3-oxo-1,4-benzoxazin-4-yl)acetamide is sourced from PubChem (CID 93211790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).