N-[(2R)-1-hydroxy-3-methylbutan-2-yl]-4-(4-oxo-1,2,3-benzotriazin-3-yl)butanamide

C16H22N4O3 — CID 124844233

IUPACN-[(2R)-1-hydroxy-3-methylbutan-2-yl]-4-(4-oxo-1,2,3-benzotriazin-3-yl)butanamide
SMILESCC(C)[C@H](CO)NC(=O)CCCn1nnc2ccccc2c1=O
InChIInChI=1S/C16H22N4O3/c1-11(2)14(10-21)17-15(22)8-5-9-20-16(23)12-6-3-4-7-13(12)18-19-20/h3-4,6-7,11,14,21H,5,8-10H2,1-2H3,(H,17,22)/t14-/m0/s1
InChIKeyFVWCWQKIGYLBIQ-AWEZNQCLSA-N
MW318.38 g/mol
LogP0.70
Rot. Bonds7

About N-[(2R)-1-hydroxy-3-methylbutan-2-yl]-4-(4-oxo-1,2,3-benzotriazin-3-yl)butanamide

N-[(2R)-1-hydroxy-3-methylbutan-2-yl]-4-(4-oxo-1,2,3-benzotriazin-3-yl)butanamide (PubChem CID 124844233) has the molecular formula C16H22N4O3 and a molecular weight of 318.38 g/mol. Its IUPAC name is N-[(2R)-1-hydroxy-3-methylbutan-2-yl]-4-(4-oxo-1,2,3-benzotriazin-3-yl)butanamide.

Molecular Properties

Compound NameN-[(2R)-1-hydroxy-3-methylbutan-2-yl]-4-(4-oxo-1,2,3-benzotriazin-3-yl)butanamide
PubChem CID124844233
Molecular FormulaC16H22N4O3
Molecular Weight318.38 g/mol
Exact Mass318.17
IUPAC NameN-[(2R)-1-hydroxy-3-methylbutan-2-yl]-4-(4-oxo-1,2,3-benzotriazin-3-yl)butanamide
SMILESCC(C)[C@H](CO)NC(=O)CCCn1nnc2ccccc2c1=O
InChIInChI=1S/C16H22N4O3/c1-11(2)14(10-21)17-15(22)8-5-9-20-16(23)12-6-3-4-7-13(12)18-19-20/h3-4,6-7,11,14,21H,5,8-10H2,1-2H3,(H,17,22)/t14-/m0/s1
InChIKeyFVWCWQKIGYLBIQ-AWEZNQCLSA-N
XLogP0.70
TPSA97.11 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[(2R)-1-hydroxy-3-methylbutan-2-yl]-4-(4-oxo-1,2,3-benzotriazin-3-yl)butanamide with MolForge

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Related Compounds

(2S)-2-[4-(4-oxo-1,2,3-benzotriazin-3-yl)butanoylamino]propanoic acid
CID 6356856
(2R)-3-methyl-2-[6-(4-oxo-1,2,3-benzotriazin-3-yl)hexanoylamino]butanoic acid
CID 92815601
N-(1-hydroxy-4-methylsulfanylbutan-2-yl)-4-(4-oxo-1,2,3-benzotriazin-3-yl)butanamide
CID 91822050
methyl (2S)-4-methyl-2-[4-(4-oxo-1,2,3-benzotriazin-3-yl)butanoylamino]pentanoate
CID 39309806
4-(4-oxo-1,2,3-benzotriazin-3-yl)butanoate
CID 7061910
N-[2-methyl-1-(1-propan-2-ylbenzimidazol-2-yl)propyl]-6-(4-oxo-1,2,3-benzotriazin-3-yl)hexanamide
CID 91822380
4-(4-oxo-1,2,3-benzotriazin-3-yl)-N-pyridin-2-ylbutanamide
CID 4906393
4-(4-oxo-1,2,3-benzotriazin-3-yl)-N-(2-pyrrol-1-ylethyl)butanamide
CID 56761021
N-[4-(dimethylamino)phenyl]-4-(4-oxo-1,2,3-benzotriazin-3-yl)butanamide
CID 4909113
(2R)-N,N,4-trimethyl-2-[3-(4-oxo-1,2,3-benzotriazin-3-yl)propanoylamino]pentanamide
CID 51950558
methyl 2-[4-(4-oxo-1,2,3-benzotriazin-3-yl)butanoylamino]benzoate
CID 4974103
N-(3-methyl-2-pyridinyl)-4-(4-oxo-1,2,3-benzotriazin-3-yl)butanamide
CID 51049182

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-hydroxy-3-methylbutan-2-yl]-4-(4-oxo-1,2,3-benzotriazin-3-yl)butanamide?
The IUPAC name of N-[(2R)-1-hydroxy-3-methylbutan-2-yl]-4-(4-oxo-1,2,3-benzotriazin-3-yl)butanamide (CID 124844233) is N-[(2R)-1-hydroxy-3-methylbutan-2-yl]-4-(4-oxo-1,2,3-benzotriazin-3-yl)butanamide.
What is the SMILES notation for N-[(2R)-1-hydroxy-3-methylbutan-2-yl]-4-(4-oxo-1,2,3-benzotriazin-3-yl)butanamide?
The canonical SMILES for N-[(2R)-1-hydroxy-3-methylbutan-2-yl]-4-(4-oxo-1,2,3-benzotriazin-3-yl)butanamide is CC(C)[C@H](CO)NC(=O)CCCn1nnc2ccccc2c1=O.
What is the InChIKey of N-[(2R)-1-hydroxy-3-methylbutan-2-yl]-4-(4-oxo-1,2,3-benzotriazin-3-yl)butanamide?
The InChIKey is FVWCWQKIGYLBIQ-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H22N4O3/c1-11(2)14(10-21)17-15(22)8-5-9-20-16(23)12-6-3-4-7-13(12)18-19-20/h3-4,6-7,11,14,21H,5,8-10H2,1-2H3,(H,17,22)/t14-/m0/s1.
What are the key properties of N-[(2R)-1-hydroxy-3-methylbutan-2-yl]-4-(4-oxo-1,2,3-benzotriazin-3-yl)butanamide?
N-[(2R)-1-hydroxy-3-methylbutan-2-yl]-4-(4-oxo-1,2,3-benzotriazin-3-yl)butanamide has a molecular weight of 318.38 g/mol, XLogP of 0.70, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-hydroxy-3-methylbutan-2-yl]-4-(4-oxo-1,2,3-benzotriazin-3-yl)butanamide is sourced from PubChem (CID 124844233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).