2-[4-[[(4aS,8aR)-3-oxo-4,4a,5,7,8,8a-hexahydropyrido[4,3-b][1,4]oxazin-6-yl]methyl]-2-methoxyphenoxy]acetamide

C17H23N3O5 — CID 110135846

IUPAC2-[4-[[(4aS,8aR)-3-oxo-4,4a,5,7,8,8a-hexahydropyrido[4,3-b][1,4]oxazin-6-yl]methyl]-2-methoxyphenoxy]acetamide
SMILESCOc1cc(CN2CC[C@H]3OCC(=O)N[C@H]3C2)ccc1OCC(N)=O
InChIInChI=1S/C17H23N3O5/c1-23-15-6-11(2-3-14(15)24-9-16(18)21)7-20-5-4-13-12(8-20)19-17(22)10-25-13/h2-3,6,12-13H,4-5,7-10H2,1H3,(H2,18,21)(H,19,22)/t12-,13+/m0/s1
InChIKeyRQKRNXCQAZMGLW-QWHCGFSZSA-N
MW349.39 g/mol
LogP-0.35
Rot. Bonds6

About 2-[4-[[(4aS,8aR)-3-oxo-4,4a,5,7,8,8a-hexahydropyrido[4,3-b][1,4]oxazin-6-yl]methyl]-2-methoxyphenoxy]acetamide

2-[4-[[(4aS,8aR)-3-oxo-4,4a,5,7,8,8a-hexahydropyrido[4,3-b][1,4]oxazin-6-yl]methyl]-2-methoxyphenoxy]acetamide (PubChem CID 110135846) has the molecular formula C17H23N3O5 and a molecular weight of 349.39 g/mol. Its IUPAC name is 2-[4-[[(4aS,8aR)-3-oxo-4,4a,5,7,8,8a-hexahydropyrido[4,3-b][1,4]oxazin-6-yl]methyl]-2-methoxyphenoxy]acetamide.

Molecular Properties

Compound Name2-[4-[[(4aS,8aR)-3-oxo-4,4a,5,7,8,8a-hexahydropyrido[4,3-b][1,4]oxazin-6-yl]methyl]-2-methoxyphenoxy]acetamide
PubChem CID110135846
Molecular FormulaC17H23N3O5
Molecular Weight349.39 g/mol
Exact Mass349.16
IUPAC Name2-[4-[[(4aS,8aR)-3-oxo-4,4a,5,7,8,8a-hexahydropyrido[4,3-b][1,4]oxazin-6-yl]methyl]-2-methoxyphenoxy]acetamide
SMILESCOc1cc(CN2CC[C@H]3OCC(=O)N[C@H]3C2)ccc1OCC(N)=O
InChIInChI=1S/C17H23N3O5/c1-23-15-6-11(2-3-14(15)24-9-16(18)21)7-20-5-4-13-12(8-20)19-17(22)10-25-13/h2-3,6,12-13H,4-5,7-10H2,1H3,(H2,18,21)(H,19,22)/t12-,13+/m0/s1
InChIKeyRQKRNXCQAZMGLW-QWHCGFSZSA-N
XLogP-0.35
TPSA103.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 5-0.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 125013560
1-[1-[(3,4-dimethoxyphenyl)methyl]pyrrolidin-3-yl]butan-1-one
CID 83980733
2-[2-[[(4aS,9aS)-3-oxo-4a,5,6,8,9,9a-hexahydro-4H-[1,4]oxazino[2,3-d]azepin-7-yl]methyl]phenoxy]acetic acid
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2-[2-methoxy-4-[[(3R)-3-methoxypiperidin-1-yl]methyl]phenoxy]acetic acid
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2-[4-[[(2R)-2-(2-chlorophenyl)azepan-1-yl]methyl]-2-methoxyphenoxy]acetamide
CID 92878144
4-[1-[(4-ethoxy-3-methoxyphenyl)methyl]piperidin-4-yl]-1H-pyridin-2-one
CID 138378750
1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]piperidine-4-carboxamide;oxalic acid
CID 23724334
(3R,4R)-1-[(3,4-dimethoxyphenyl)methyl]-4-(hydroxymethyl)piperidin-3-ol
CID 155492053
2-[4-[(4aS,8aR)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine-4-carbonyl]-2-methoxyphenoxy]acetamide
CID 94809319

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[(4aS,8aR)-3-oxo-4,4a,5,7,8,8a-hexahydropyrido[4,3-b][1,4]oxazin-6-yl]methyl]-2-methoxyphenoxy]acetamide?
The IUPAC name of 2-[4-[[(4aS,8aR)-3-oxo-4,4a,5,7,8,8a-hexahydropyrido[4,3-b][1,4]oxazin-6-yl]methyl]-2-methoxyphenoxy]acetamide (CID 110135846) is 2-[4-[[(4aS,8aR)-3-oxo-4,4a,5,7,8,8a-hexahydropyrido[4,3-b][1,4]oxazin-6-yl]methyl]-2-methoxyphenoxy]acetamide.
What is the SMILES notation for 2-[4-[[(4aS,8aR)-3-oxo-4,4a,5,7,8,8a-hexahydropyrido[4,3-b][1,4]oxazin-6-yl]methyl]-2-methoxyphenoxy]acetamide?
The canonical SMILES for 2-[4-[[(4aS,8aR)-3-oxo-4,4a,5,7,8,8a-hexahydropyrido[4,3-b][1,4]oxazin-6-yl]methyl]-2-methoxyphenoxy]acetamide is COc1cc(CN2CC[C@H]3OCC(=O)N[C@H]3C2)ccc1OCC(N)=O.
What is the InChIKey of 2-[4-[[(4aS,8aR)-3-oxo-4,4a,5,7,8,8a-hexahydropyrido[4,3-b][1,4]oxazin-6-yl]methyl]-2-methoxyphenoxy]acetamide?
The InChIKey is RQKRNXCQAZMGLW-QWHCGFSZSA-N. The full InChI is InChI=1S/C17H23N3O5/c1-23-15-6-11(2-3-14(15)24-9-16(18)21)7-20-5-4-13-12(8-20)19-17(22)10-25-13/h2-3,6,12-13H,4-5,7-10H2,1H3,(H2,18,21)(H,19,22)/t12-,13+/m0/s1.
What are the key properties of 2-[4-[[(4aS,8aR)-3-oxo-4,4a,5,7,8,8a-hexahydropyrido[4,3-b][1,4]oxazin-6-yl]methyl]-2-methoxyphenoxy]acetamide?
2-[4-[[(4aS,8aR)-3-oxo-4,4a,5,7,8,8a-hexahydropyrido[4,3-b][1,4]oxazin-6-yl]methyl]-2-methoxyphenoxy]acetamide has a molecular weight of 349.39 g/mol, XLogP of -0.35, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[(4aS,8aR)-3-oxo-4,4a,5,7,8,8a-hexahydropyrido[4,3-b][1,4]oxazin-6-yl]methyl]-2-methoxyphenoxy]acetamide is sourced from PubChem (CID 110135846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).