4-(2-aminoethoxy)-3-methoxy-N-[2-(2-oxo-1,3-oxazinan-3-yl)ethyl]benzamide

C16H23N3O5 — CID 118793355

IUPAC4-(2-aminoethoxy)-3-methoxy-N-[2-(2-oxo-1,3-oxazinan-3-yl)ethyl]benzamide
SMILESCOc1cc(C(=O)NCCN2CCCOC2=O)ccc1OCCN
InChIInChI=1S/C16H23N3O5/c1-22-14-11-12(3-4-13(14)23-10-5-17)15(20)18-6-8-19-7-2-9-24-16(19)21/h3-4,11H,2,5-10,17H2,1H3,(H,18,20)
InChIKeyPGFGIXSZIXWOMY-UHFFFAOYSA-N
MW337.38 g/mol
LogP0.60
Rot. Bonds8

About 4-(2-aminoethoxy)-3-methoxy-N-[2-(2-oxo-1,3-oxazinan-3-yl)ethyl]benzamide

4-(2-aminoethoxy)-3-methoxy-N-[2-(2-oxo-1,3-oxazinan-3-yl)ethyl]benzamide (PubChem CID 118793355) has the molecular formula C16H23N3O5 and a molecular weight of 337.38 g/mol. Its IUPAC name is 4-(2-aminoethoxy)-3-methoxy-N-[2-(2-oxo-1,3-oxazinan-3-yl)ethyl]benzamide.

Molecular Properties

Compound Name4-(2-aminoethoxy)-3-methoxy-N-[2-(2-oxo-1,3-oxazinan-3-yl)ethyl]benzamide
PubChem CID118793355
Molecular FormulaC16H23N3O5
Molecular Weight337.38 g/mol
Exact Mass337.16
IUPAC Name4-(2-aminoethoxy)-3-methoxy-N-[2-(2-oxo-1,3-oxazinan-3-yl)ethyl]benzamide
SMILESCOc1cc(C(=O)NCCN2CCCOC2=O)ccc1OCCN
InChIInChI=1S/C16H23N3O5/c1-22-14-11-12(3-4-13(14)23-10-5-17)15(20)18-6-8-19-7-2-9-24-16(19)21/h3-4,11H,2,5-10,17H2,1H3,(H,18,20)
InChIKeyPGFGIXSZIXWOMY-UHFFFAOYSA-N
XLogP0.60
TPSA103.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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3,4-dimethoxy-N-(2-piperidin-1-ylethyl)benzamide
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N-ethyl-3-methoxy-4-(2-morpholin-4-ylethoxy)benzamide
CID 166767320
2,3-dimethyl-N-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]quinoxaline-6-carboxamide
CID 72852469
4-methoxy-N-(2-morpholin-4-ylethyl)-3-pentoxybenzamide
CID 19363436
2-(2-oxo-1,3-oxazinan-3-yl)ethylcarbamic acid
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4-(2-aminoethoxy)-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-3-methoxybenzamide
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N-(2-aminooxyethyl)-3,4-dimethoxybenzamide
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3-chloro-N-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]benzamide
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Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoethoxy)-3-methoxy-N-[2-(2-oxo-1,3-oxazinan-3-yl)ethyl]benzamide?
The IUPAC name of 4-(2-aminoethoxy)-3-methoxy-N-[2-(2-oxo-1,3-oxazinan-3-yl)ethyl]benzamide (CID 118793355) is 4-(2-aminoethoxy)-3-methoxy-N-[2-(2-oxo-1,3-oxazinan-3-yl)ethyl]benzamide.
What is the SMILES notation for 4-(2-aminoethoxy)-3-methoxy-N-[2-(2-oxo-1,3-oxazinan-3-yl)ethyl]benzamide?
The canonical SMILES for 4-(2-aminoethoxy)-3-methoxy-N-[2-(2-oxo-1,3-oxazinan-3-yl)ethyl]benzamide is COc1cc(C(=O)NCCN2CCCOC2=O)ccc1OCCN.
What is the InChIKey of 4-(2-aminoethoxy)-3-methoxy-N-[2-(2-oxo-1,3-oxazinan-3-yl)ethyl]benzamide?
The InChIKey is PGFGIXSZIXWOMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O5/c1-22-14-11-12(3-4-13(14)23-10-5-17)15(20)18-6-8-19-7-2-9-24-16(19)21/h3-4,11H,2,5-10,17H2,1H3,(H,18,20).
What are the key properties of 4-(2-aminoethoxy)-3-methoxy-N-[2-(2-oxo-1,3-oxazinan-3-yl)ethyl]benzamide?
4-(2-aminoethoxy)-3-methoxy-N-[2-(2-oxo-1,3-oxazinan-3-yl)ethyl]benzamide has a molecular weight of 337.38 g/mol, XLogP of 0.60, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminoethoxy)-3-methoxy-N-[2-(2-oxo-1,3-oxazinan-3-yl)ethyl]benzamide is sourced from PubChem (CID 118793355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).