[3-[(2,3-dimethoxyphenyl)carbamoylamino]cyclohexyl] N-phenylcarbamate

C22H27N3O5 — CID 71794297

IUPAC[3-[(2,3-dimethoxyphenyl)carbamoylamino]cyclohexyl] N-phenylcarbamate
SMILESCOc1cccc(NC(=O)NC2CCCC(OC(=O)Nc3ccccc3)C2)c1OC
InChIInChI=1S/C22H27N3O5/c1-28-19-13-7-12-18(20(19)29-2)25-21(26)23-16-10-6-11-17(14-16)30-22(27)24-15-8-4-3-5-9-15/h3-5,7-9,12-13,16-17H,6,10-11,14H2,1-2H3,(H,24,27)(H2,23,25,26)
InChIKeyYRVWWNYJINOAIT-UHFFFAOYSA-N
MW413.47 g/mol
LogP4.39
Rot. Bonds6

About [3-[(2,3-dimethoxyphenyl)carbamoylamino]cyclohexyl] N-phenylcarbamate

[3-[(2,3-dimethoxyphenyl)carbamoylamino]cyclohexyl] N-phenylcarbamate (PubChem CID 71794297) has the molecular formula C22H27N3O5 and a molecular weight of 413.47 g/mol. Its IUPAC name is [3-[(2,3-dimethoxyphenyl)carbamoylamino]cyclohexyl] N-phenylcarbamate.

Molecular Properties

Compound Name[3-[(2,3-dimethoxyphenyl)carbamoylamino]cyclohexyl] N-phenylcarbamate
PubChem CID71794297
Molecular FormulaC22H27N3O5
Molecular Weight413.47 g/mol
Exact Mass413.20
IUPAC Name[3-[(2,3-dimethoxyphenyl)carbamoylamino]cyclohexyl] N-phenylcarbamate
SMILESCOc1cccc(NC(=O)NC2CCCC(OC(=O)Nc3ccccc3)C2)c1OC
InChIInChI=1S/C22H27N3O5/c1-28-19-13-7-12-18(20(19)29-2)25-21(26)23-16-10-6-11-17(14-16)30-22(27)24-15-8-4-3-5-9-15/h3-5,7-9,12-13,16-17H,6,10-11,14H2,1-2H3,(H,24,27)(H2,23,25,26)
InChIKeyYRVWWNYJINOAIT-UHFFFAOYSA-N
XLogP4.39
TPSA97.92 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.47
LogP ≤ 54.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze [3-[(2,3-dimethoxyphenyl)carbamoylamino]cyclohexyl] N-phenylcarbamate 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

[(1S,3R)-3-(phenylcarbamoyloxy)cyclohexyl] N-phenylcarbamate
CID 139079563
[3-[3-(3,4-dimethoxyphenyl)prop-2-enoylamino]cyclohexyl] N-phenylcarbamate
CID 71960595
[3-(thiophen-2-ylmethylcarbamoylamino)cyclohexyl] N-phenylcarbamate
CID 71794298
[(1S,3R)-3-[[2-(4-fluorophenyl)acetyl]amino]cyclohexyl] N-phenylcarbamate
CID 95985787
1-(2-methoxyphenyl)-3-[3-(2,2,2-trifluoroethoxy)cyclohexyl]urea
CID 42956451
[(1S,3S)-3-(3-phenylpropanoylamino)cyclohexyl] N-phenylcarbamate
CID 95985789
[(1R,3S)-3-[[(2S)-2-phenoxypropanoyl]amino]cyclohexyl] N-(4-fluorophenyl)carbamate
CID 98766114
(3-aminocyclohexyl) N-(2-methoxyphenyl)carbamate
CID 79465855
[(1S,3R)-3-(dimethylsulfamoylamino)cyclohexyl] N-phenylcarbamate
CID 95985836
[(1R,3S)-3-(dimethylsulfamoylamino)cyclohexyl] N-phenylcarbamate
CID 95985839
1-(3-methoxyphenyl)-3-[3-[(3-methoxyphenyl)carbamoylamino]cyclohexyl]urea
CID 10295162
1-(3-chloro-2-methoxyphenyl)-3-cyclohexylurea
CID 5148075

Frequently Asked Questions

What is the IUPAC name of [3-[(2,3-dimethoxyphenyl)carbamoylamino]cyclohexyl] N-phenylcarbamate?
The IUPAC name of [3-[(2,3-dimethoxyphenyl)carbamoylamino]cyclohexyl] N-phenylcarbamate (CID 71794297) is [3-[(2,3-dimethoxyphenyl)carbamoylamino]cyclohexyl] N-phenylcarbamate.
What is the SMILES notation for [3-[(2,3-dimethoxyphenyl)carbamoylamino]cyclohexyl] N-phenylcarbamate?
The canonical SMILES for [3-[(2,3-dimethoxyphenyl)carbamoylamino]cyclohexyl] N-phenylcarbamate is COc1cccc(NC(=O)NC2CCCC(OC(=O)Nc3ccccc3)C2)c1OC.
What is the InChIKey of [3-[(2,3-dimethoxyphenyl)carbamoylamino]cyclohexyl] N-phenylcarbamate?
The InChIKey is YRVWWNYJINOAIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O5/c1-28-19-13-7-12-18(20(19)29-2)25-21(26)23-16-10-6-11-17(14-16)30-22(27)24-15-8-4-3-5-9-15/h3-5,7-9,12-13,16-17H,6,10-11,14H2,1-2H3,(H,24,27)(H2,23,25,26).
What are the key properties of [3-[(2,3-dimethoxyphenyl)carbamoylamino]cyclohexyl] N-phenylcarbamate?
[3-[(2,3-dimethoxyphenyl)carbamoylamino]cyclohexyl] N-phenylcarbamate has a molecular weight of 413.47 g/mol, XLogP of 4.39, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(2,3-dimethoxyphenyl)carbamoylamino]cyclohexyl] N-phenylcarbamate is sourced from PubChem (CID 71794297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).