1-[(1R,2R)-2-methylcyclohexyl]-3-(1-methylindol-3-yl)urea

C17H23N3O — CID 40519549

IUPAC1-[(1R,2R)-2-methylcyclohexyl]-3-(1-methylindol-3-yl)urea
SMILESC[C@@H]1CCCC[C@H]1NC(=O)Nc1cn(C)c2ccccc12
InChIInChI=1S/C17H23N3O/c1-12-7-3-5-9-14(12)18-17(21)19-15-11-20(2)16-10-6-4-8-13(15)16/h4,6,8,10-12,14H,3,5,7,9H2,1-2H3,(H2,18,19,21)/t12-,14-/m1/s1
InChIKeyJLIYNKZKLNKSSI-TZMCWYRMSA-N
MW285.39 g/mol
LogP3.88
Rot. Bonds2

About 1-[(1R,2R)-2-methylcyclohexyl]-3-(1-methylindol-3-yl)urea

1-[(1R,2R)-2-methylcyclohexyl]-3-(1-methylindol-3-yl)urea (PubChem CID 40519549) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is 1-[(1R,2R)-2-methylcyclohexyl]-3-(1-methylindol-3-yl)urea.

Molecular Properties

Compound Name1-[(1R,2R)-2-methylcyclohexyl]-3-(1-methylindol-3-yl)urea
PubChem CID40519549
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name1-[(1R,2R)-2-methylcyclohexyl]-3-(1-methylindol-3-yl)urea
SMILESC[C@@H]1CCCC[C@H]1NC(=O)Nc1cn(C)c2ccccc12
InChIInChI=1S/C17H23N3O/c1-12-7-3-5-9-14(12)18-17(21)19-15-11-20(2)16-10-6-4-8-13(15)16/h4,6,8,10-12,14H,3,5,7,9H2,1-2H3,(H2,18,19,21)/t12-,14-/m1/s1
InChIKeyJLIYNKZKLNKSSI-TZMCWYRMSA-N
XLogP3.88
TPSA46.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-[(1R,2R)-2-methylcyclohexyl]-3-(1-methylindol-3-yl)urea 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

[2-[[(1S,2R)-2-methylcyclohexyl]carbamoylamino]-2-oxoethyl] 1-methylindole-3-carboxylate
CID 8817230
1-cyclohexyl-1-methyl-3-(1-methylindol-3-yl)urea
CID 16813050
1-(2-methoxyphenyl)-3-[(1R,2R)-2-methylcyclohexyl]urea
CID 40636375
1-[2-(methoxymethyl)phenyl]-3-[(1S,2R)-2-methylcyclohexyl]urea
CID 94081568
1-cyclohexyl-3-(2-methyl-1-oxoisoquinolin-4-yl)urea
CID 6624970
2-methyl-N-(2-methylcyclohexyl)-1-oxoisoquinoline-4-carboxamide
CID 4288589
1-methyl-3-(1-methylindol-3-yl)-1-(1-methylpiperidin-4-yl)urea
CID 16813051
(3R,5S)-3,5-dimethyl-N-(1-methylindol-3-yl)piperidine-1-carboxamide
CID 42551679
1-(2,4-dimethylphenyl)-3-(2-methylcyclohexyl)urea
CID 17265372
3-[2-[(2-methylcyclopentyl)carbamoylamino]phenyl]propanoic acid
CID 107274081
1-(furan-2-yl)-3-(2-methylcyclohexyl)urea
CID 108868492
2-methyl-3-[(2-methylcyclopentyl)carbamoylamino]benzoic acid
CID 63279678

Frequently Asked Questions

What is the IUPAC name of 1-[(1R,2R)-2-methylcyclohexyl]-3-(1-methylindol-3-yl)urea?
The IUPAC name of 1-[(1R,2R)-2-methylcyclohexyl]-3-(1-methylindol-3-yl)urea (CID 40519549) is 1-[(1R,2R)-2-methylcyclohexyl]-3-(1-methylindol-3-yl)urea.
What is the SMILES notation for 1-[(1R,2R)-2-methylcyclohexyl]-3-(1-methylindol-3-yl)urea?
The canonical SMILES for 1-[(1R,2R)-2-methylcyclohexyl]-3-(1-methylindol-3-yl)urea is C[C@@H]1CCCC[C@H]1NC(=O)Nc1cn(C)c2ccccc12.
What is the InChIKey of 1-[(1R,2R)-2-methylcyclohexyl]-3-(1-methylindol-3-yl)urea?
The InChIKey is JLIYNKZKLNKSSI-TZMCWYRMSA-N. The full InChI is InChI=1S/C17H23N3O/c1-12-7-3-5-9-14(12)18-17(21)19-15-11-20(2)16-10-6-4-8-13(15)16/h4,6,8,10-12,14H,3,5,7,9H2,1-2H3,(H2,18,19,21)/t12-,14-/m1/s1.
What are the key properties of 1-[(1R,2R)-2-methylcyclohexyl]-3-(1-methylindol-3-yl)urea?
1-[(1R,2R)-2-methylcyclohexyl]-3-(1-methylindol-3-yl)urea has a molecular weight of 285.39 g/mol, XLogP of 3.88, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R,2R)-2-methylcyclohexyl]-3-(1-methylindol-3-yl)urea is sourced from PubChem (CID 40519549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).