(5S)-3-methyl-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-2-oxo-1-oxa-3,7-diazaspiro[4.4]nonane-7-carboxamide

C17H20N4O5 — CID 126434804

IUPAC(5S)-3-methyl-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-2-oxo-1-oxa-3,7-diazaspiro[4.4]nonane-7-carboxamide
SMILESCN1C[C@@]2(CCN(C(=O)Nc3ccc4c(c3)N(C)C(=O)CO4)C2)OC1=O
InChIInChI=1S/C17H20N4O5/c1-19-9-17(26-16(19)24)5-6-21(10-17)15(23)18-11-3-4-13-12(7-11)20(2)14(22)8-25-13/h3-4,7H,5-6,8-10H2,1-2H3,(H,18,23)/t17-/m1/s1
InChIKeyILDWSEUJMQSWRT-QGZVFWFLSA-N
MW360.37 g/mol
LogP1.10
Rot. Bonds1

About (5S)-3-methyl-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-2-oxo-1-oxa-3,7-diazaspiro[4.4]nonane-7-carboxamide

(5S)-3-methyl-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-2-oxo-1-oxa-3,7-diazaspiro[4.4]nonane-7-carboxamide (PubChem CID 126434804) has the molecular formula C17H20N4O5 and a molecular weight of 360.37 g/mol. Its IUPAC name is (5S)-3-methyl-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-2-oxo-1-oxa-3,7-diazaspiro[4.4]nonane-7-carboxamide.

Molecular Properties

Compound Name(5S)-3-methyl-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-2-oxo-1-oxa-3,7-diazaspiro[4.4]nonane-7-carboxamide
PubChem CID126434804
Molecular FormulaC17H20N4O5
Molecular Weight360.37 g/mol
Exact Mass360.14
IUPAC Name(5S)-3-methyl-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-2-oxo-1-oxa-3,7-diazaspiro[4.4]nonane-7-carboxamide
SMILESCN1C[C@@]2(CCN(C(=O)Nc3ccc4c(c3)N(C)C(=O)CO4)C2)OC1=O
InChIInChI=1S/C17H20N4O5/c1-19-9-17(26-16(19)24)5-6-21(10-17)15(23)18-11-3-4-13-12(7-11)20(2)14(22)8-25-13/h3-4,7H,5-6,8-10H2,1-2H3,(H,18,23)/t17-/m1/s1
InChIKeyILDWSEUJMQSWRT-QGZVFWFLSA-N
XLogP1.10
TPSA91.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.37
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5S)-3-methyl-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-2-oxo-1-oxa-3,7-diazaspiro[4.4]nonane-7-carboxamide?
The IUPAC name of (5S)-3-methyl-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-2-oxo-1-oxa-3,7-diazaspiro[4.4]nonane-7-carboxamide (CID 126434804) is (5S)-3-methyl-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-2-oxo-1-oxa-3,7-diazaspiro[4.4]nonane-7-carboxamide.
What is the SMILES notation for (5S)-3-methyl-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-2-oxo-1-oxa-3,7-diazaspiro[4.4]nonane-7-carboxamide?
The canonical SMILES for (5S)-3-methyl-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-2-oxo-1-oxa-3,7-diazaspiro[4.4]nonane-7-carboxamide is CN1C[C@@]2(CCN(C(=O)Nc3ccc4c(c3)N(C)C(=O)CO4)C2)OC1=O.
What is the InChIKey of (5S)-3-methyl-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-2-oxo-1-oxa-3,7-diazaspiro[4.4]nonane-7-carboxamide?
The InChIKey is ILDWSEUJMQSWRT-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H20N4O5/c1-19-9-17(26-16(19)24)5-6-21(10-17)15(23)18-11-3-4-13-12(7-11)20(2)14(22)8-25-13/h3-4,7H,5-6,8-10H2,1-2H3,(H,18,23)/t17-/m1/s1.
What are the key properties of (5S)-3-methyl-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-2-oxo-1-oxa-3,7-diazaspiro[4.4]nonane-7-carboxamide?
(5S)-3-methyl-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-2-oxo-1-oxa-3,7-diazaspiro[4.4]nonane-7-carboxamide has a molecular weight of 360.37 g/mol, XLogP of 1.10, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-3-methyl-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-2-oxo-1-oxa-3,7-diazaspiro[4.4]nonane-7-carboxamide is sourced from PubChem (CID 126434804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).