2-[(4aS,8aS)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl]-N-(3,5-dimethoxyphenyl)acetamide

C18H26N2O4 — CID 95145502

IUPAC2-[(4aS,8aS)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl]-N-(3,5-dimethoxyphenyl)acetamide
SMILESCOc1cc(NC(=O)CN2CCO[C@H]3CCCC[C@@H]32)cc(OC)c1
InChIInChI=1S/C18H26N2O4/c1-22-14-9-13(10-15(11-14)23-2)19-18(21)12-20-7-8-24-17-6-4-3-5-16(17)20/h9-11,16-17H,3-8,12H2,1-2H3,(H,19,21)/t16-,17-/m0/s1
InChIKeyLMLAYCXBRPOXJO-IRXDYDNUSA-N
MW334.42 g/mol
LogP2.29
Rot. Bonds5

About 2-[(4aS,8aS)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl]-N-(3,5-dimethoxyphenyl)acetamide

2-[(4aS,8aS)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl]-N-(3,5-dimethoxyphenyl)acetamide (PubChem CID 95145502) has the molecular formula C18H26N2O4 and a molecular weight of 334.42 g/mol. Its IUPAC name is 2-[(4aS,8aS)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl]-N-(3,5-dimethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[(4aS,8aS)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl]-N-(3,5-dimethoxyphenyl)acetamide
PubChem CID95145502
Molecular FormulaC18H26N2O4
Molecular Weight334.42 g/mol
Exact Mass334.19
IUPAC Name2-[(4aS,8aS)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl]-N-(3,5-dimethoxyphenyl)acetamide
SMILESCOc1cc(NC(=O)CN2CCO[C@H]3CCCC[C@@H]32)cc(OC)c1
InChIInChI=1S/C18H26N2O4/c1-22-14-9-13(10-15(11-14)23-2)19-18(21)12-20-7-8-24-17-6-4-3-5-16(17)20/h9-11,16-17H,3-8,12H2,1-2H3,(H,19,21)/t16-,17-/m0/s1
InChIKeyLMLAYCXBRPOXJO-IRXDYDNUSA-N
XLogP2.29
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[(4aS,8aS)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl]-N-(3,5-dimethoxyphenyl)acetamide with MolForge

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Related Compounds

2-[(4aR,8aR)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl]-N-(1-methylpyrazol-3-yl)acetamide
CID 91830392
2-[(4aS,8aR)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl]-N-(2-methyl-4-nitrophenyl)acetamide
CID 95899812
1-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)butan-2-one
CID 62039938
ethyl 2-[(4aR,8aS)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl]acetate
CID 124670169
2-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-N-(1-naphthalen-2-ylethyl)acetamide
CID 55827722
N-(3,5-dimethoxyphenyl)-2-[3-(fluoromethyl)piperidin-1-yl]acetamide
CID 171337842
N-(3,5-dimethoxyphenyl)-2-(oxan-4-yl)acetamide
CID 91918174
2-(2-formylpiperidin-1-yl)-N-(3-methoxyphenyl)acetamide
CID 62654790
(2S)-N-(3,5-dimethoxyphenyl)oxolane-2-carboxamide
CID 9096652
2-[cycloheptyl(methyl)amino]-N-(3,5-dimethoxyphenyl)acetamide
CID 16577758
3-[(4aS,8aR)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl]-N-(5-chloro-2-methoxyphenyl)propanamide
CID 51964095
2-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-N-(2,5-dimethoxyphenyl)acetamide
CID 11930996

Frequently Asked Questions

What is the IUPAC name of 2-[(4aS,8aS)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl]-N-(3,5-dimethoxyphenyl)acetamide?
The IUPAC name of 2-[(4aS,8aS)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl]-N-(3,5-dimethoxyphenyl)acetamide (CID 95145502) is 2-[(4aS,8aS)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl]-N-(3,5-dimethoxyphenyl)acetamide.
What is the SMILES notation for 2-[(4aS,8aS)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl]-N-(3,5-dimethoxyphenyl)acetamide?
The canonical SMILES for 2-[(4aS,8aS)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl]-N-(3,5-dimethoxyphenyl)acetamide is COc1cc(NC(=O)CN2CCO[C@H]3CCCC[C@@H]32)cc(OC)c1.
What is the InChIKey of 2-[(4aS,8aS)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl]-N-(3,5-dimethoxyphenyl)acetamide?
The InChIKey is LMLAYCXBRPOXJO-IRXDYDNUSA-N. The full InChI is InChI=1S/C18H26N2O4/c1-22-14-9-13(10-15(11-14)23-2)19-18(21)12-20-7-8-24-17-6-4-3-5-16(17)20/h9-11,16-17H,3-8,12H2,1-2H3,(H,19,21)/t16-,17-/m0/s1.
What are the key properties of 2-[(4aS,8aS)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl]-N-(3,5-dimethoxyphenyl)acetamide?
2-[(4aS,8aS)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl]-N-(3,5-dimethoxyphenyl)acetamide has a molecular weight of 334.42 g/mol, XLogP of 2.29, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4aS,8aS)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl]-N-(3,5-dimethoxyphenyl)acetamide is sourced from PubChem (CID 95145502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).