1,2-dimethoxybenzene;(1-methyl-2,3,3a,4,5,7a-hexahydroindol-6-yl) N,N-dimethylcarbamate

C20H30N2O4 — CID 170747098

IUPAC1,2-dimethoxybenzene;(1-methyl-2,3,3a,4,5,7a-hexahydroindol-6-yl) N,N-dimethylcarbamate
SMILESCN(C)C(=O)OC1=CC2C(CC1)CCN2C.COc1ccccc1OC
InChIInChI=1S/C12H20N2O2.C8H10O2/c1-13(2)12(15)16-10-5-4-9-6-7-14(3)11(9)8-10;1-9-7-5-3-4-6-8(7)10-2/h8-9,11H,4-7H2,1-3H3;3-6H,1-2H3
InChIKeyKLDIPGVCBWGEDB-UHFFFAOYSA-N
MW362.47 g/mol
LogP3.39
Rot. Bonds3

About 1,2-dimethoxybenzene;(1-methyl-2,3,3a,4,5,7a-hexahydroindol-6-yl) N,N-dimethylcarbamate

1,2-dimethoxybenzene;(1-methyl-2,3,3a,4,5,7a-hexahydroindol-6-yl) N,N-dimethylcarbamate (PubChem CID 170747098) has the molecular formula C20H30N2O4 and a molecular weight of 362.47 g/mol. Its IUPAC name is 1,2-dimethoxybenzene;(1-methyl-2,3,3a,4,5,7a-hexahydroindol-6-yl) N,N-dimethylcarbamate.

Molecular Properties

Compound Name1,2-dimethoxybenzene;(1-methyl-2,3,3a,4,5,7a-hexahydroindol-6-yl) N,N-dimethylcarbamate
PubChem CID170747098
Molecular FormulaC20H30N2O4
Molecular Weight362.47 g/mol
Exact Mass362.22
IUPAC Name1,2-dimethoxybenzene;(1-methyl-2,3,3a,4,5,7a-hexahydroindol-6-yl) N,N-dimethylcarbamate
SMILESCN(C)C(=O)OC1=CC2C(CC1)CCN2C.COc1ccccc1OC
InChIInChI=1S/C12H20N2O2.C8H10O2/c1-13(2)12(15)16-10-5-4-9-6-7-14(3)11(9)8-10;1-9-7-5-3-4-6-8(7)10-2/h8-9,11H,4-7H2,1-3H3;3-6H,1-2H3
InChIKeyKLDIPGVCBWGEDB-UHFFFAOYSA-N
XLogP3.39
TPSA51.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.47
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1,2-dimethoxybenzene;(1-methyl-2,3,3a,4,5,7a-hexahydroindol-6-yl) N,N-dimethylcarbamate 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

tert-butyl (1-methyl-2,3,3a,4,5,7a-hexahydroindol-6-yl) carbonate;1,2-dimethoxybenzene
CID 170747378
1,2-dimethoxybenzene;(1-methyl-2,3,3a,4,5,7a-hexahydroindol-6-yl) dihydrogen phosphite
CID 170747084
1,2-dimethoxybenzene;[(1-methyl-2,3,3a,4,5,7a-hexahydroindol-6-yl)oxy-(propan-2-yloxycarbonyloxymethoxymethoxy)phosphoryl]oxymethoxymethyl propan-2-yl carbonate;molecular hydrogen
CID 170747254
1,2-dimethoxybenzene;methane;(1-methyl-2,3,3a,4,7,7a-hexahydroindol-6-yl) N-methyl-N-phenylcarbamate
CID 170747362
1,2-dimethoxybenzene;7-ethyl-1,7-dimethyl-2,3,3a,4,5,7a-hexahydroindol-6-one
CID 171567506
methyl 1-methyl-2,3,3a,4,5,10c-hexahydropyrrolo[3,2-c]carbazole-6-carboxylate
CID 102085932
[2-[2-(1-methylpiperidin-2-yl)ethyl]phenyl] N,N-dimethylcarbamate
CID 11011729
(7aS)-1-methyl-6-pyrrolidin-1-yl-2,3,3a,4,5,6,7,7a-octahydroindole;1,2-dimethoxybenzene;ethane
CID 171567539
[4-(dimethylcarbamoyloxy)-2,3-dimethoxynaphthalen-1-yl] N,N-dimethylcarbamate
CID 14302870
2-(2-methoxyphenoxy)-2-oxoacetic acid
CID 14886364
[2-(piperidin-1-ylmethyl)phenyl] N,N-dimethylcarbamate
CID 11043577
cyclopropyl-[3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]methanone
CID 110293137

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethoxybenzene;(1-methyl-2,3,3a,4,5,7a-hexahydroindol-6-yl) N,N-dimethylcarbamate?
The IUPAC name of 1,2-dimethoxybenzene;(1-methyl-2,3,3a,4,5,7a-hexahydroindol-6-yl) N,N-dimethylcarbamate (CID 170747098) is 1,2-dimethoxybenzene;(1-methyl-2,3,3a,4,5,7a-hexahydroindol-6-yl) N,N-dimethylcarbamate.
What is the SMILES notation for 1,2-dimethoxybenzene;(1-methyl-2,3,3a,4,5,7a-hexahydroindol-6-yl) N,N-dimethylcarbamate?
The canonical SMILES for 1,2-dimethoxybenzene;(1-methyl-2,3,3a,4,5,7a-hexahydroindol-6-yl) N,N-dimethylcarbamate is CN(C)C(=O)OC1=CC2C(CC1)CCN2C.COc1ccccc1OC.
What is the InChIKey of 1,2-dimethoxybenzene;(1-methyl-2,3,3a,4,5,7a-hexahydroindol-6-yl) N,N-dimethylcarbamate?
The InChIKey is KLDIPGVCBWGEDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2.C8H10O2/c1-13(2)12(15)16-10-5-4-9-6-7-14(3)11(9)8-10;1-9-7-5-3-4-6-8(7)10-2/h8-9,11H,4-7H2,1-3H3;3-6H,1-2H3.
What are the key properties of 1,2-dimethoxybenzene;(1-methyl-2,3,3a,4,5,7a-hexahydroindol-6-yl) N,N-dimethylcarbamate?
1,2-dimethoxybenzene;(1-methyl-2,3,3a,4,5,7a-hexahydroindol-6-yl) N,N-dimethylcarbamate has a molecular weight of 362.47 g/mol, XLogP of 3.39, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethoxybenzene;(1-methyl-2,3,3a,4,5,7a-hexahydroindol-6-yl) N,N-dimethylcarbamate is sourced from PubChem (CID 170747098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).