(3S)-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-3-propylmorpholine-4-carboxamide

C17H23N3O4 — CID 125447943

IUPAC(3S)-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-3-propylmorpholine-4-carboxamide
SMILESCCC[C@H]1COCCN1C(=O)Nc1ccc2c(c1)N(C)C(=O)CO2
InChIInChI=1S/C17H23N3O4/c1-3-4-13-10-23-8-7-20(13)17(22)18-12-5-6-15-14(9-12)19(2)16(21)11-24-15/h5-6,9,13H,3-4,7-8,10-11H2,1-2H3,(H,18,22)/t13-/m0/s1
InChIKeySKTXMHSWLHLYIN-ZDUSSCGKSA-N
MW333.39 g/mol
LogP2.07
Rot. Bonds3

About (3S)-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-3-propylmorpholine-4-carboxamide

(3S)-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-3-propylmorpholine-4-carboxamide (PubChem CID 125447943) has the molecular formula C17H23N3O4 and a molecular weight of 333.39 g/mol. Its IUPAC name is (3S)-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-3-propylmorpholine-4-carboxamide.

Molecular Properties

Compound Name(3S)-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-3-propylmorpholine-4-carboxamide
PubChem CID125447943
Molecular FormulaC17H23N3O4
Molecular Weight333.39 g/mol
Exact Mass333.17
IUPAC Name(3S)-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-3-propylmorpholine-4-carboxamide
SMILESCCC[C@H]1COCCN1C(=O)Nc1ccc2c(c1)N(C)C(=O)CO2
InChIInChI=1S/C17H23N3O4/c1-3-4-13-10-23-8-7-20(13)17(22)18-12-5-6-15-14(9-12)19(2)16(21)11-24-15/h5-6,9,13H,3-4,7-8,10-11H2,1-2H3,(H,18,22)/t13-/m0/s1
InChIKeySKTXMHSWLHLYIN-ZDUSSCGKSA-N
XLogP2.07
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-3-propylmorpholine-4-carboxamide
CID 125447942
2-methyl-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)pyrrolidine-1-carboxamide
CID 143615273
(2S)-2-(3-methoxypropyl)-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)piperidine-1-carboxamide
CID 125435903
N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-4-azatricyclo[4.3.1.13,8]undecane-4-carboxamide
CID 102558481
(3aS,6aR)-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide
CID 136585527
N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-2-(4-methylphenyl)acetamide
CID 110778134
2-amino-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)pentanamide;hydrochloride
CID 119322353
2-(3-methoxyphenyl)-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)azetidine-1-carboxamide
CID 72855696
2-(2-aminoethylsulfanyl)-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)acetamide
CID 84553125
4-hydroxy-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)butanamide
CID 115162804
2-(3-methoxypropyl)-N-(4-methyl-3-oxo-1,4-benzoxazin-7-yl)piperidine-1-carboxamide
CID 118763336
N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-N'-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)oxamide
CID 51971279

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-3-propylmorpholine-4-carboxamide?
The IUPAC name of (3S)-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-3-propylmorpholine-4-carboxamide (CID 125447943) is (3S)-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-3-propylmorpholine-4-carboxamide.
What is the SMILES notation for (3S)-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-3-propylmorpholine-4-carboxamide?
The canonical SMILES for (3S)-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-3-propylmorpholine-4-carboxamide is CCC[C@H]1COCCN1C(=O)Nc1ccc2c(c1)N(C)C(=O)CO2.
What is the InChIKey of (3S)-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-3-propylmorpholine-4-carboxamide?
The InChIKey is SKTXMHSWLHLYIN-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H23N3O4/c1-3-4-13-10-23-8-7-20(13)17(22)18-12-5-6-15-14(9-12)19(2)16(21)11-24-15/h5-6,9,13H,3-4,7-8,10-11H2,1-2H3,(H,18,22)/t13-/m0/s1.
What are the key properties of (3S)-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-3-propylmorpholine-4-carboxamide?
(3S)-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-3-propylmorpholine-4-carboxamide has a molecular weight of 333.39 g/mol, XLogP of 2.07, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-3-propylmorpholine-4-carboxamide is sourced from PubChem (CID 125447943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).