N-cyclooctyl-N-methyl-3-oxo-4H-1,4-benzoxazine-6-carboxamide

C18H24N2O3 — CID 51101453

IUPACN-cyclooctyl-N-methyl-3-oxo-4H-1,4-benzoxazine-6-carboxamide
SMILESCN(C(=O)c1ccc2c(c1)NC(=O)CO2)C1CCCCCCC1
InChIInChI=1S/C18H24N2O3/c1-20(14-7-5-3-2-4-6-8-14)18(22)13-9-10-16-15(11-13)19-17(21)12-23-16/h9-11,14H,2-8,12H2,1H3,(H,19,21)
InChIKeyHCOAONDYTPCQQI-UHFFFAOYSA-N
MW316.40 g/mol
LogP3.20
Rot. Bonds2

About N-cyclooctyl-N-methyl-3-oxo-4H-1,4-benzoxazine-6-carboxamide

N-cyclooctyl-N-methyl-3-oxo-4H-1,4-benzoxazine-6-carboxamide (PubChem CID 51101453) has the molecular formula C18H24N2O3 and a molecular weight of 316.40 g/mol. Its IUPAC name is N-cyclooctyl-N-methyl-3-oxo-4H-1,4-benzoxazine-6-carboxamide.

Molecular Properties

Compound NameN-cyclooctyl-N-methyl-3-oxo-4H-1,4-benzoxazine-6-carboxamide
PubChem CID51101453
Molecular FormulaC18H24N2O3
Molecular Weight316.40 g/mol
Exact Mass316.18
IUPAC NameN-cyclooctyl-N-methyl-3-oxo-4H-1,4-benzoxazine-6-carboxamide
SMILESCN(C(=O)c1ccc2c(c1)NC(=O)CO2)C1CCCCCCC1
InChIInChI=1S/C18H24N2O3/c1-20(14-7-5-3-2-4-6-8-14)18(22)13-9-10-16-15(11-13)19-17(21)12-23-16/h9-11,14H,2-8,12H2,1H3,(H,19,21)
InChIKeyHCOAONDYTPCQQI-UHFFFAOYSA-N
XLogP3.20
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopentyl-N-methyl-2-oxo-1,3-dihydroindole-6-carboxamide
CID 102712002
N-cyclopentyl-3-oxo-4H-1,4-benzoxazine-6-carboxamide
CID 60655442
6-(2-cyclobutylacetyl)-4H-1,4-benzoxazin-3-one
CID 103162383
3-[methyl-(3-oxo-4H-1,4-benzoxazine-6-carbonyl)amino]propanoic acid
CID 60989417
N-butyl-N-methyl-3-oxo-4H-1,4-benzoxazine-6-carboxamide
CID 110763786
6-(2-cyclopropylpropanoyl)-4H-1,4-benzoxazin-3-one
CID 83154072
6-(oxolane-2-carbonyl)-4H-1,4-benzoxazin-3-one
CID 43339532
6-(2,2-dimethylcyclopentanecarbonyl)-4H-1,4-benzoxazin-3-one
CID 107176343
6-(piperidine-4-carbonyl)-4H-1,4-benzoxazin-3-one
CID 43120478
N-cyclopentyl-N-[1-(4-methoxyphenyl)-2-oxo-2-(propan-2-ylamino)ethyl]-3-oxo-4H-1,4-benzoxazine-6-carboxamide
CID 18525162
6-[(2S)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidine-1-carbonyl]-4H-1,4-benzoxazin-3-one
CID 95287572
N-(1,1-dioxothiolan-3-yl)-N-ethyl-3-oxo-4H-1,4-benzoxazine-6-carboxamide
CID 110763777

Frequently Asked Questions

What is the IUPAC name of N-cyclooctyl-N-methyl-3-oxo-4H-1,4-benzoxazine-6-carboxamide?
The IUPAC name of N-cyclooctyl-N-methyl-3-oxo-4H-1,4-benzoxazine-6-carboxamide (CID 51101453) is N-cyclooctyl-N-methyl-3-oxo-4H-1,4-benzoxazine-6-carboxamide.
What is the SMILES notation for N-cyclooctyl-N-methyl-3-oxo-4H-1,4-benzoxazine-6-carboxamide?
The canonical SMILES for N-cyclooctyl-N-methyl-3-oxo-4H-1,4-benzoxazine-6-carboxamide is CN(C(=O)c1ccc2c(c1)NC(=O)CO2)C1CCCCCCC1.
What is the InChIKey of N-cyclooctyl-N-methyl-3-oxo-4H-1,4-benzoxazine-6-carboxamide?
The InChIKey is HCOAONDYTPCQQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O3/c1-20(14-7-5-3-2-4-6-8-14)18(22)13-9-10-16-15(11-13)19-17(21)12-23-16/h9-11,14H,2-8,12H2,1H3,(H,19,21).
What are the key properties of N-cyclooctyl-N-methyl-3-oxo-4H-1,4-benzoxazine-6-carboxamide?
N-cyclooctyl-N-methyl-3-oxo-4H-1,4-benzoxazine-6-carboxamide has a molecular weight of 316.40 g/mol, XLogP of 3.20, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclooctyl-N-methyl-3-oxo-4H-1,4-benzoxazine-6-carboxamide is sourced from PubChem (CID 51101453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).