1-[(2R)-2-(3,4-dimethoxyphenyl)-2-(1H-indol-3-yl)ethyl]-3-(3-methylphenyl)urea

C26H27N3O3 — CID 92892911

IUPAC1-[(2R)-2-(3,4-dimethoxyphenyl)-2-(1H-indol-3-yl)ethyl]-3-(3-methylphenyl)urea
SMILESCOc1ccc([C@@H](CNC(=O)Nc2cccc(C)c2)c2c[nH]c3ccccc23)cc1OC
InChIInChI=1S/C26H27N3O3/c1-17-7-6-8-19(13-17)29-26(30)28-15-21(18-11-12-24(31-2)25(14-18)32-3)22-16-27-23-10-5-4-9-20(22)23/h4-14,16,21,27H,15H2,1-3H3,(H2,28,29,30)/t21-/m1/s1
InChIKeyRZLYGLJCBRJNEL-OAQYLSRUSA-N
MW429.52 g/mol
LogP5.45
Rot. Bonds7

About 1-[(2R)-2-(3,4-dimethoxyphenyl)-2-(1H-indol-3-yl)ethyl]-3-(3-methylphenyl)urea

1-[(2R)-2-(3,4-dimethoxyphenyl)-2-(1H-indol-3-yl)ethyl]-3-(3-methylphenyl)urea (PubChem CID 92892911) has the molecular formula C26H27N3O3 and a molecular weight of 429.52 g/mol. Its IUPAC name is 1-[(2R)-2-(3,4-dimethoxyphenyl)-2-(1H-indol-3-yl)ethyl]-3-(3-methylphenyl)urea.

Molecular Properties

Compound Name1-[(2R)-2-(3,4-dimethoxyphenyl)-2-(1H-indol-3-yl)ethyl]-3-(3-methylphenyl)urea
PubChem CID92892911
Molecular FormulaC26H27N3O3
Molecular Weight429.52 g/mol
Exact Mass429.21
IUPAC Name1-[(2R)-2-(3,4-dimethoxyphenyl)-2-(1H-indol-3-yl)ethyl]-3-(3-methylphenyl)urea
SMILESCOc1ccc([C@@H](CNC(=O)Nc2cccc(C)c2)c2c[nH]c3ccccc23)cc1OC
InChIInChI=1S/C26H27N3O3/c1-17-7-6-8-19(13-17)29-26(30)28-15-21(18-11-12-24(31-2)25(14-18)32-3)22-16-27-23-10-5-4-9-20(22)23/h4-14,16,21,27H,15H2,1-3H3,(H2,28,29,30)/t21-/m1/s1
InChIKeyRZLYGLJCBRJNEL-OAQYLSRUSA-N
XLogP5.45
TPSA75.38 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.52
LogP ≤ 55.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-[(2R)-2-(3,4-dimethoxyphenyl)-2-(1H-indol-3-yl)ethyl]-3-(3-methylphenyl)urea with MolForge

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Related Compounds

1-(3,4-dimethoxyphenyl)-3-[(2R)-2-(4-fluorophenyl)-2-(1H-indol-3-yl)ethyl]urea
CID 92892882
1-[(2R)-2-(3,4-dimethoxyphenyl)-2-(1H-indol-3-yl)ethyl]-3-(2-ethylphenyl)urea
CID 92876005
methyl 2-[[2-(3,4-dimethoxyphenyl)-2-(1H-indol-3-yl)ethyl]carbamoylamino]benzoate
CID 46354806
1-(2,5-difluorophenyl)-3-[2-(3,4-dimethoxyphenyl)-2-(1H-indol-3-yl)ethyl]urea
CID 46354820
1-[(2R)-2-(1H-indol-3-yl)-2-phenylethyl]-3-(3,4,5-trimethoxyphenyl)urea
CID 92876039
1-[(2S)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-3-phenylurea
CID 40880801
1-[2-(4-ethoxy-3-methoxyphenyl)-2-(1H-indol-3-yl)ethyl]-3-(5-methyl-1,2-oxazol-3-yl)urea
CID 47014420
N-[(2R)-2-(4-ethoxy-3-methoxyphenyl)-2-(1H-indol-3-yl)ethyl]-2-methylpropanamide
CID 29204635
1-[(2R)-2-(1H-indol-3-yl)-2-phenylethyl]-3-phenylurea
CID 27870739
1-(3-fluorophenyl)-3-[(2R)-2-(1H-indol-3-yl)-2-phenylethyl]urea
CID 92892940
4-ethoxy-N-[2-(4-ethoxy-3-methoxyphenyl)-2-(1H-indol-3-yl)ethyl]-3-methoxybenzamide
CID 46521063
1-[(2S)-2-(1H-indol-3-yl)-2-phenylethyl]-3-(3-methylsulfanylphenyl)urea
CID 92876044

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-(3,4-dimethoxyphenyl)-2-(1H-indol-3-yl)ethyl]-3-(3-methylphenyl)urea?
The IUPAC name of 1-[(2R)-2-(3,4-dimethoxyphenyl)-2-(1H-indol-3-yl)ethyl]-3-(3-methylphenyl)urea (CID 92892911) is 1-[(2R)-2-(3,4-dimethoxyphenyl)-2-(1H-indol-3-yl)ethyl]-3-(3-methylphenyl)urea.
What is the SMILES notation for 1-[(2R)-2-(3,4-dimethoxyphenyl)-2-(1H-indol-3-yl)ethyl]-3-(3-methylphenyl)urea?
The canonical SMILES for 1-[(2R)-2-(3,4-dimethoxyphenyl)-2-(1H-indol-3-yl)ethyl]-3-(3-methylphenyl)urea is COc1ccc([C@@H](CNC(=O)Nc2cccc(C)c2)c2c[nH]c3ccccc23)cc1OC.
What is the InChIKey of 1-[(2R)-2-(3,4-dimethoxyphenyl)-2-(1H-indol-3-yl)ethyl]-3-(3-methylphenyl)urea?
The InChIKey is RZLYGLJCBRJNEL-OAQYLSRUSA-N. The full InChI is InChI=1S/C26H27N3O3/c1-17-7-6-8-19(13-17)29-26(30)28-15-21(18-11-12-24(31-2)25(14-18)32-3)22-16-27-23-10-5-4-9-20(22)23/h4-14,16,21,27H,15H2,1-3H3,(H2,28,29,30)/t21-/m1/s1.
What are the key properties of 1-[(2R)-2-(3,4-dimethoxyphenyl)-2-(1H-indol-3-yl)ethyl]-3-(3-methylphenyl)urea?
1-[(2R)-2-(3,4-dimethoxyphenyl)-2-(1H-indol-3-yl)ethyl]-3-(3-methylphenyl)urea has a molecular weight of 429.52 g/mol, XLogP of 5.45, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-(3,4-dimethoxyphenyl)-2-(1H-indol-3-yl)ethyl]-3-(3-methylphenyl)urea is sourced from PubChem (CID 92892911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).