1-[1-(2-methoxyethyl)indol-3-yl]-3-(2,4,6-trimethylphenyl)urea

C21H25N3O2 — CID 18582507

IUPAC1-[1-(2-methoxyethyl)indol-3-yl]-3-(2,4,6-trimethylphenyl)urea
SMILESCOCCn1cc(NC(=O)Nc2c(C)cc(C)cc2C)c2ccccc21
InChIInChI=1S/C21H25N3O2/c1-14-11-15(2)20(16(3)12-14)23-21(25)22-18-13-24(9-10-26-4)19-8-6-5-7-17(18)19/h5-8,11-13H,9-10H2,1-4H3,(H2,22,23,25)
InChIKeyPXIYMVHMRCRSMX-UHFFFAOYSA-N
MW351.45 g/mol
LogP4.86
Rot. Bonds5

About 1-[1-(2-methoxyethyl)indol-3-yl]-3-(2,4,6-trimethylphenyl)urea

1-[1-(2-methoxyethyl)indol-3-yl]-3-(2,4,6-trimethylphenyl)urea (PubChem CID 18582507) has the molecular formula C21H25N3O2 and a molecular weight of 351.45 g/mol. Its IUPAC name is 1-[1-(2-methoxyethyl)indol-3-yl]-3-(2,4,6-trimethylphenyl)urea.

Molecular Properties

Compound Name1-[1-(2-methoxyethyl)indol-3-yl]-3-(2,4,6-trimethylphenyl)urea
PubChem CID18582507
Molecular FormulaC21H25N3O2
Molecular Weight351.45 g/mol
Exact Mass351.19
IUPAC Name1-[1-(2-methoxyethyl)indol-3-yl]-3-(2,4,6-trimethylphenyl)urea
SMILESCOCCn1cc(NC(=O)Nc2c(C)cc(C)cc2C)c2ccccc21
InChIInChI=1S/C21H25N3O2/c1-14-11-15(2)20(16(3)12-14)23-21(25)22-18-13-24(9-10-26-4)19-8-6-5-7-17(18)19/h5-8,11-13H,9-10H2,1-4H3,(H2,22,23,25)
InChIKeyPXIYMVHMRCRSMX-UHFFFAOYSA-N
XLogP4.86
TPSA55.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 54.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(2-methoxyethyl)indol-3-yl]-3-(2-methoxy-5-methylphenyl)urea
CID 16803764
1-[1-(2-methoxyethyl)indol-3-yl]-3-propan-2-ylurea
CID 40519790
ethyl 4-[[1-(2-methoxyethyl)indol-3-yl]carbamoylamino]benzoate
CID 40519874
1-[(2S)-2-hydroxypropyl]-3-[1-(2-methoxyethyl)indol-3-yl]urea
CID 40519801
1-(1-hydroxy-2-methylpropan-2-yl)-3-[1-(2-methoxyethyl)indol-3-yl]urea
CID 40519808
1-ethyl-3-[1-(2-methoxyethyl)indol-3-yl]-1-(2-methylphenyl)urea
CID 40519863
1-[1-(2-methoxyethyl)indol-3-yl]-3-(thiophen-2-ylmethyl)urea
CID 18582459
N-[1-(2-methoxyethyl)indol-3-yl]-4-methylpiperidine-1-carboxamide
CID 18582430
4-formyl-N-[1-(2-methoxyethyl)indol-3-yl]piperazine-1-carboxamide
CID 40519785
2-(1-propylindol-3-yl)sulfanyl-N-(2,4,6-trimethylphenyl)acetamide
CID 4185632
1-(2,3-dimethylphenyl)-3-(1-ethylindol-3-yl)urea
CID 40519720
1-benzyl-1-butyl-3-[1-(2-methoxyethyl)indol-3-yl]urea
CID 40519751

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-methoxyethyl)indol-3-yl]-3-(2,4,6-trimethylphenyl)urea?
The IUPAC name of 1-[1-(2-methoxyethyl)indol-3-yl]-3-(2,4,6-trimethylphenyl)urea (CID 18582507) is 1-[1-(2-methoxyethyl)indol-3-yl]-3-(2,4,6-trimethylphenyl)urea.
What is the SMILES notation for 1-[1-(2-methoxyethyl)indol-3-yl]-3-(2,4,6-trimethylphenyl)urea?
The canonical SMILES for 1-[1-(2-methoxyethyl)indol-3-yl]-3-(2,4,6-trimethylphenyl)urea is COCCn1cc(NC(=O)Nc2c(C)cc(C)cc2C)c2ccccc21.
What is the InChIKey of 1-[1-(2-methoxyethyl)indol-3-yl]-3-(2,4,6-trimethylphenyl)urea?
The InChIKey is PXIYMVHMRCRSMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O2/c1-14-11-15(2)20(16(3)12-14)23-21(25)22-18-13-24(9-10-26-4)19-8-6-5-7-17(18)19/h5-8,11-13H,9-10H2,1-4H3,(H2,22,23,25).
What are the key properties of 1-[1-(2-methoxyethyl)indol-3-yl]-3-(2,4,6-trimethylphenyl)urea?
1-[1-(2-methoxyethyl)indol-3-yl]-3-(2,4,6-trimethylphenyl)urea has a molecular weight of 351.45 g/mol, XLogP of 4.86, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-methoxyethyl)indol-3-yl]-3-(2,4,6-trimethylphenyl)urea is sourced from PubChem (CID 18582507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).