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

C17H19N3O3 — CID 86914892

IUPACN-(1-cyanocyclopentyl)-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide
SMILESCC1Oc2ccccc2N(CC(=O)NC2(C#N)CCCC2)C1=O
InChIInChI=1S/C17H19N3O3/c1-12-16(22)20(13-6-2-3-7-14(13)23-12)10-15(21)19-17(11-18)8-4-5-9-17/h2-3,6-7,12H,4-5,8-10H2,1H3,(H,19,21)
InChIKeyDBAWYCMSBJVJOS-UHFFFAOYSA-N
MW313.36 g/mol
LogP1.75
Rot. Bonds3

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

N-(1-cyanocyclopentyl)-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide (PubChem CID 86914892) has the molecular formula C17H19N3O3 and a molecular weight of 313.36 g/mol. Its IUPAC name is N-(1-cyanocyclopentyl)-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide.

Molecular Properties

Compound NameN-(1-cyanocyclopentyl)-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide
PubChem CID86914892
Molecular FormulaC17H19N3O3
Molecular Weight313.36 g/mol
Exact Mass313.14
IUPAC NameN-(1-cyanocyclopentyl)-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide
SMILESCC1Oc2ccccc2N(CC(=O)NC2(C#N)CCCC2)C1=O
InChIInChI=1S/C17H19N3O3/c1-12-16(22)20(13-6-2-3-7-14(13)23-12)10-15(21)19-17(11-18)8-4-5-9-17/h2-3,6-7,12H,4-5,8-10H2,1H3,(H,19,21)
InChIKeyDBAWYCMSBJVJOS-UHFFFAOYSA-N
XLogP1.75
TPSA82.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2R)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]-N-propan-2-ylacetamide
CID 7437484
N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide
CID 16581537
N-(1-cyanocyclohexyl)-2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]acetamide
CID 41084125
1-[3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)propanoylamino]cyclohexane-1-carboxylic acid
CID 56809721
N-butyl-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide
CID 18132070
N'-methyl-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N'-phenylacetohydrazide
CID 18132260
N-[(3S)-1,1-dioxothiolan-3-yl]-2-[(2R)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]acetamide
CID 51928661
1-[methyl-[2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetyl]amino]cyclohexane-1-carboxylic acid
CID 120539892
N-[(2S)-butan-2-yl]-2-[(2S)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]acetamide
CID 28522105
2-[(2R)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]-N-prop-2-enylacetamide
CID 7437477
N-[2-(methylamino)ethyl]-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide;hydrochloride
CID 119502456
N,N-dimethyl-2-[(2S)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]acetamide
CID 95051578

Frequently Asked Questions

What is the IUPAC name of N-(1-cyanocyclopentyl)-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide?
The IUPAC name of N-(1-cyanocyclopentyl)-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide (CID 86914892) is N-(1-cyanocyclopentyl)-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide.
What is the SMILES notation for N-(1-cyanocyclopentyl)-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide?
The canonical SMILES for N-(1-cyanocyclopentyl)-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide is CC1Oc2ccccc2N(CC(=O)NC2(C#N)CCCC2)C1=O.
What is the InChIKey of N-(1-cyanocyclopentyl)-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide?
The InChIKey is DBAWYCMSBJVJOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3/c1-12-16(22)20(13-6-2-3-7-14(13)23-12)10-15(21)19-17(11-18)8-4-5-9-17/h2-3,6-7,12H,4-5,8-10H2,1H3,(H,19,21).
What are the key properties of N-(1-cyanocyclopentyl)-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide?
N-(1-cyanocyclopentyl)-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide has a molecular weight of 313.36 g/mol, XLogP of 1.75, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanocyclopentyl)-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide is sourced from PubChem (CID 86914892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).