propan-2-yl 2-[6-(cyclopropylcarbamoyl)-2,2-dimethyl-3-oxo-1,4-benzoxazin-4-yl]acetate

C19H24N2O5 — CID 653600

IUPACpropan-2-yl 2-[6-(cyclopropylcarbamoyl)-2,2-dimethyl-3-oxo-1,4-benzoxazin-4-yl]acetate
SMILESCC(C)OC(=O)CN1C(=O)C(C)(C)Oc2ccc(C(=O)NC3CC3)cc21
InChIInChI=1S/C19H24N2O5/c1-11(2)25-16(22)10-21-14-9-12(17(23)20-13-6-7-13)5-8-15(14)26-19(3,4)18(21)24/h5,8-9,11,13H,6-7,10H2,1-4H3,(H,20,23)
InChIKeyIQDQFMRVRXGBFU-UHFFFAOYSA-N
MW360.41 g/mol
LogP2.03
Rot. Bonds5

About propan-2-yl 2-[6-(cyclopropylcarbamoyl)-2,2-dimethyl-3-oxo-1,4-benzoxazin-4-yl]acetate

propan-2-yl 2-[6-(cyclopropylcarbamoyl)-2,2-dimethyl-3-oxo-1,4-benzoxazin-4-yl]acetate (PubChem CID 653600) has the molecular formula C19H24N2O5 and a molecular weight of 360.41 g/mol. Its IUPAC name is propan-2-yl 2-[6-(cyclopropylcarbamoyl)-2,2-dimethyl-3-oxo-1,4-benzoxazin-4-yl]acetate.

Molecular Properties

Compound Namepropan-2-yl 2-[6-(cyclopropylcarbamoyl)-2,2-dimethyl-3-oxo-1,4-benzoxazin-4-yl]acetate
PubChem CID653600
Molecular FormulaC19H24N2O5
Molecular Weight360.41 g/mol
Exact Mass360.17
IUPAC Namepropan-2-yl 2-[6-(cyclopropylcarbamoyl)-2,2-dimethyl-3-oxo-1,4-benzoxazin-4-yl]acetate
SMILESCC(C)OC(=O)CN1C(=O)C(C)(C)Oc2ccc(C(=O)NC3CC3)cc21
InChIInChI=1S/C19H24N2O5/c1-11(2)25-16(22)10-21-14-9-12(17(23)20-13-6-7-13)5-8-15(14)26-19(3,4)18(21)24/h5,8-9,11,13H,6-7,10H2,1-4H3,(H,20,23)
InChIKeyIQDQFMRVRXGBFU-UHFFFAOYSA-N
XLogP2.03
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-[6-(cyclopropylcarbamoyl)-2,2-dimethyl-3-oxo-1,4-benzoxazin-4-yl]acetate?
The IUPAC name of propan-2-yl 2-[6-(cyclopropylcarbamoyl)-2,2-dimethyl-3-oxo-1,4-benzoxazin-4-yl]acetate (CID 653600) is propan-2-yl 2-[6-(cyclopropylcarbamoyl)-2,2-dimethyl-3-oxo-1,4-benzoxazin-4-yl]acetate.
What is the SMILES notation for propan-2-yl 2-[6-(cyclopropylcarbamoyl)-2,2-dimethyl-3-oxo-1,4-benzoxazin-4-yl]acetate?
The canonical SMILES for propan-2-yl 2-[6-(cyclopropylcarbamoyl)-2,2-dimethyl-3-oxo-1,4-benzoxazin-4-yl]acetate is CC(C)OC(=O)CN1C(=O)C(C)(C)Oc2ccc(C(=O)NC3CC3)cc21.
What is the InChIKey of propan-2-yl 2-[6-(cyclopropylcarbamoyl)-2,2-dimethyl-3-oxo-1,4-benzoxazin-4-yl]acetate?
The InChIKey is IQDQFMRVRXGBFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O5/c1-11(2)25-16(22)10-21-14-9-12(17(23)20-13-6-7-13)5-8-15(14)26-19(3,4)18(21)24/h5,8-9,11,13H,6-7,10H2,1-4H3,(H,20,23).
What are the key properties of propan-2-yl 2-[6-(cyclopropylcarbamoyl)-2,2-dimethyl-3-oxo-1,4-benzoxazin-4-yl]acetate?
propan-2-yl 2-[6-(cyclopropylcarbamoyl)-2,2-dimethyl-3-oxo-1,4-benzoxazin-4-yl]acetate has a molecular weight of 360.41 g/mol, XLogP of 2.03, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-[6-(cyclopropylcarbamoyl)-2,2-dimethyl-3-oxo-1,4-benzoxazin-4-yl]acetate is sourced from PubChem (CID 653600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).