N-cyclopropyl-2-[(2S)-2-ethyl-3-oxo-1,4-benzoxazin-4-yl]acetamide

C15H18N2O3 — CID 757970

IUPACN-cyclopropyl-2-[(2S)-2-ethyl-3-oxo-1,4-benzoxazin-4-yl]acetamide
SMILESCC[C@@H]1Oc2ccccc2N(CC(=O)NC2CC2)C1=O
InChIInChI=1S/C15H18N2O3/c1-2-12-15(19)17(9-14(18)16-10-7-8-10)11-5-3-4-6-13(11)20-12/h3-6,10,12H,2,7-9H2,1H3,(H,16,18)/t12-/m0/s1
InChIKeyUOZPUGUGGZHATN-LBPRGKRZSA-N
MW274.32 g/mol
LogP1.47
Rot. Bonds4

About N-cyclopropyl-2-[(2S)-2-ethyl-3-oxo-1,4-benzoxazin-4-yl]acetamide

N-cyclopropyl-2-[(2S)-2-ethyl-3-oxo-1,4-benzoxazin-4-yl]acetamide (PubChem CID 757970) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is N-cyclopropyl-2-[(2S)-2-ethyl-3-oxo-1,4-benzoxazin-4-yl]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[(2S)-2-ethyl-3-oxo-1,4-benzoxazin-4-yl]acetamide
PubChem CID757970
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC NameN-cyclopropyl-2-[(2S)-2-ethyl-3-oxo-1,4-benzoxazin-4-yl]acetamide
SMILESCC[C@@H]1Oc2ccccc2N(CC(=O)NC2CC2)C1=O
InChIInChI=1S/C15H18N2O3/c1-2-12-15(19)17(9-14(18)16-10-7-8-10)11-5-3-4-6-13(11)20-12/h3-6,10,12H,2,7-9H2,1H3,(H,16,18)/t12-/m0/s1
InChIKeyUOZPUGUGGZHATN-LBPRGKRZSA-N
XLogP1.47
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-2-(2-ethyl-3-oxo-1,4-benzoxazin-4-yl)acetamide
CID 3155025
N-cyclododecyl-3-(2-ethyl-3-oxo-1,4-benzoxazin-4-yl)propanamide
CID 110830582
2-[(2S)-2-ethyl-3-oxo-1,4-benzoxazin-4-yl]-N-heptylacetamide
CID 92853475
2-[(2S)-2-ethyl-3-oxo-1,4-benzoxazin-4-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 7236802
2-[(2R)-2-ethyl-3-oxo-1,4-benzoxazin-4-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 6542601
2-(2-ethyl-3-oxo-1,4-benzoxazin-4-yl)-N-[(4-methylphenyl)methyl]acetamide
CID 3674095
2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-piperidin-4-ylacetamide;hydrochloride
CID 119388433
N-(1,3-benzodioxol-5-yl)-2-(2-ethyl-3-oxo-1,4-benzoxazin-4-yl)acetamide
CID 5017270
2-(2-ethyl-3-oxo-1,4-benzoxazin-4-yl)-N-(2-methoxyphenyl)acetamide
CID 653285
2-[(2S)-2-ethyl-3-oxo-1,4-benzoxazin-4-yl]-N-(furan-2-ylmethyl)acetamide
CID 757964
2-(2-ethyl-3-oxo-1,4-benzoxazin-4-yl)-N-(6-methyl-2-pyridinyl)acetamide
CID 3224987
2-[(2S)-2-ethyl-3-oxo-1,4-benzoxazin-4-yl]-N-(2-morpholin-4-ylethyl)acetamide
CID 92696140

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[(2S)-2-ethyl-3-oxo-1,4-benzoxazin-4-yl]acetamide?
The IUPAC name of N-cyclopropyl-2-[(2S)-2-ethyl-3-oxo-1,4-benzoxazin-4-yl]acetamide (CID 757970) is N-cyclopropyl-2-[(2S)-2-ethyl-3-oxo-1,4-benzoxazin-4-yl]acetamide.
What is the SMILES notation for N-cyclopropyl-2-[(2S)-2-ethyl-3-oxo-1,4-benzoxazin-4-yl]acetamide?
The canonical SMILES for N-cyclopropyl-2-[(2S)-2-ethyl-3-oxo-1,4-benzoxazin-4-yl]acetamide is CC[C@@H]1Oc2ccccc2N(CC(=O)NC2CC2)C1=O.
What is the InChIKey of N-cyclopropyl-2-[(2S)-2-ethyl-3-oxo-1,4-benzoxazin-4-yl]acetamide?
The InChIKey is UOZPUGUGGZHATN-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-2-12-15(19)17(9-14(18)16-10-7-8-10)11-5-3-4-6-13(11)20-12/h3-6,10,12H,2,7-9H2,1H3,(H,16,18)/t12-/m0/s1.
What are the key properties of N-cyclopropyl-2-[(2S)-2-ethyl-3-oxo-1,4-benzoxazin-4-yl]acetamide?
N-cyclopropyl-2-[(2S)-2-ethyl-3-oxo-1,4-benzoxazin-4-yl]acetamide has a molecular weight of 274.32 g/mol, XLogP of 1.47, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[(2S)-2-ethyl-3-oxo-1,4-benzoxazin-4-yl]acetamide is sourced from PubChem (CID 757970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).