N-(4-chloro-2-methoxy-5-methylphenyl)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine-4-carboxamide

C17H23ClN2O3 — CID 47049665

IUPACN-(4-chloro-2-methoxy-5-methylphenyl)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine-4-carboxamide
SMILESCOc1cc(Cl)c(C)cc1NC(=O)N1CCOC2CCCCC21
InChIInChI=1S/C17H23ClN2O3/c1-11-9-13(16(22-2)10-12(11)18)19-17(21)20-7-8-23-15-6-4-3-5-14(15)20/h9-10,14-15H,3-8H2,1-2H3,(H,19,21)
InChIKeyGAUNQCIKKNWFKN-UHFFFAOYSA-N
MW338.84 g/mol
LogP3.83
Rot. Bonds2

About N-(4-chloro-2-methoxy-5-methylphenyl)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine-4-carboxamide

N-(4-chloro-2-methoxy-5-methylphenyl)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine-4-carboxamide (PubChem CID 47049665) has the molecular formula C17H23ClN2O3 and a molecular weight of 338.84 g/mol. Its IUPAC name is N-(4-chloro-2-methoxy-5-methylphenyl)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine-4-carboxamide.

Molecular Properties

Compound NameN-(4-chloro-2-methoxy-5-methylphenyl)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine-4-carboxamide
PubChem CID47049665
Molecular FormulaC17H23ClN2O3
Molecular Weight338.84 g/mol
Exact Mass338.14
IUPAC NameN-(4-chloro-2-methoxy-5-methylphenyl)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine-4-carboxamide
SMILESCOc1cc(Cl)c(C)cc1NC(=O)N1CCOC2CCCCC21
InChIInChI=1S/C17H23ClN2O3/c1-11-9-13(16(22-2)10-12(11)18)19-17(21)20-7-8-23-15-6-4-3-5-14(15)20/h9-10,14-15H,3-8H2,1-2H3,(H,19,21)
InChIKeyGAUNQCIKKNWFKN-UHFFFAOYSA-N
XLogP3.83
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.84
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(4-chloro-2-methoxy-5-methylphenyl)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-chloro-2-methoxy-5-methylphenyl)-3-(oxolan-2-ylmethyl)urea
CID 47196268
N-(4-chloro-2,5-dimethoxyphenyl)-4-(oxolan-2-ylmethyl)piperazine-1-carboxamide
CID 113105519
N-(4-chloro-2-methoxy-5-methylphenyl)-2-(3-methylpiperidin-1-yl)-2-oxoacetamide
CID 108523071
N-(4-chloro-2,5-dimethoxyphenyl)-N'-(4-chloro-2-methoxy-5-methylphenyl)oxamide
CID 108532266
2-[(4-chloro-2-methoxy-5-methylphenyl)carbamoyl]cyclohexene-1-carboxylic acid
CID 53270356
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
N-(4-chloro-2-methoxy-5-methylphenyl)-3-(4-methylpiperazin-1-yl)-3-oxopropanamide
CID 108944484
3-(azepan-1-yl)-N-(4-chloro-2-methoxy-5-methylphenyl)-2,2-dimethyl-3-oxopropanamide
CID 108967101
N-(4-chloro-2-methoxy-5-methylphenyl)-N'-cyclohexyl-N'-methyloxamide
CID 108503847
N-(4-chloro-2-methoxy-5-methylphenyl)-2-[(3R)-1-methyl-2-oxoazepan-3-yl]acetamide
CID 164642595
N-(4-chloro-2,5-dimethoxyphenyl)-4-(oxolane-2-carbonyl)piperazine-1-carboxamide
CID 55695606
N-(4-chloro-2-methoxy-5-methylphenyl)-2-cyclopropylpropanamide
CID 110428070

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methoxy-5-methylphenyl)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine-4-carboxamide?
The IUPAC name of N-(4-chloro-2-methoxy-5-methylphenyl)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine-4-carboxamide (CID 47049665) is N-(4-chloro-2-methoxy-5-methylphenyl)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine-4-carboxamide.
What is the SMILES notation for N-(4-chloro-2-methoxy-5-methylphenyl)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine-4-carboxamide?
The canonical SMILES for N-(4-chloro-2-methoxy-5-methylphenyl)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine-4-carboxamide is COc1cc(Cl)c(C)cc1NC(=O)N1CCOC2CCCCC21.
What is the InChIKey of N-(4-chloro-2-methoxy-5-methylphenyl)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine-4-carboxamide?
The InChIKey is GAUNQCIKKNWFKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23ClN2O3/c1-11-9-13(16(22-2)10-12(11)18)19-17(21)20-7-8-23-15-6-4-3-5-14(15)20/h9-10,14-15H,3-8H2,1-2H3,(H,19,21).
What are the key properties of N-(4-chloro-2-methoxy-5-methylphenyl)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine-4-carboxamide?
N-(4-chloro-2-methoxy-5-methylphenyl)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine-4-carboxamide has a molecular weight of 338.84 g/mol, XLogP of 3.83, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-methoxy-5-methylphenyl)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine-4-carboxamide is sourced from PubChem (CID 47049665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).