1-(4-tert-butylphenyl)-3-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]urea

C22H27N3O2 — CID 90535325

IUPAC1-(4-tert-butylphenyl)-3-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]urea
SMILESCn1cc(C(O)CNC(=O)Nc2ccc(C(C)(C)C)cc2)c2ccccc21
InChIInChI=1S/C22H27N3O2/c1-22(2,3)15-9-11-16(12-10-15)24-21(27)23-13-20(26)18-14-25(4)19-8-6-5-7-17(18)19/h5-12,14,20,26H,13H2,1-4H3,(H2,23,24,27)
InChIKeyMSJNCLLKHVZLIY-UHFFFAOYSA-N
MW365.48 g/mol
LogP4.33
Rot. Bonds4

About 1-(4-tert-butylphenyl)-3-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]urea

1-(4-tert-butylphenyl)-3-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]urea (PubChem CID 90535325) has the molecular formula C22H27N3O2 and a molecular weight of 365.48 g/mol. Its IUPAC name is 1-(4-tert-butylphenyl)-3-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]urea.

Molecular Properties

Compound Name1-(4-tert-butylphenyl)-3-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]urea
PubChem CID90535325
Molecular FormulaC22H27N3O2
Molecular Weight365.48 g/mol
Exact Mass365.21
IUPAC Name1-(4-tert-butylphenyl)-3-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]urea
SMILESCn1cc(C(O)CNC(=O)Nc2ccc(C(C)(C)C)cc2)c2ccccc21
InChIInChI=1S/C22H27N3O2/c1-22(2,3)15-9-11-16(12-10-15)24-21(27)23-13-20(26)18-14-25(4)19-8-6-5-7-17(18)19/h5-12,14,20,26H,13H2,1-4H3,(H2,23,24,27)
InChIKeyMSJNCLLKHVZLIY-UHFFFAOYSA-N
XLogP4.33
TPSA66.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 54.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]-3-(2-methylphenyl)urea
CID 71788722
1-benzhydryl-3-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]urea
CID 90535339
N'-(3,5-dimethylphenyl)-N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]oxamide
CID 90535242
1-(2,4-dimethoxyphenyl)-3-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]urea
CID 90535330
N'-(2,6-dimethylphenyl)-N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]oxamide
CID 90535246
1-[(2R)-2-hydroxy-2-(1-methylindol-3-yl)ethyl]-3-(thiophen-2-ylmethyl)urea
CID 97416736
N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]-N'-(2-methylphenyl)oxamide
CID 90535235
4-(dimethylamino)-N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]benzamide
CID 90535031
N-[(2S)-2-hydroxy-2-(1-methylindol-3-yl)ethyl]-N'-pyridin-3-yloxamide
CID 97414117
N'-(3-fluoro-4-methylphenyl)-N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]oxamide
CID 71788710
2-bromo-N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]benzamide
CID 71788673
2-benzylsulfanyl-N-[(2S)-2-hydroxy-2-(1-methylindol-3-yl)ethyl]acetamide
CID 97414049

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylphenyl)-3-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]urea?
The IUPAC name of 1-(4-tert-butylphenyl)-3-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]urea (CID 90535325) is 1-(4-tert-butylphenyl)-3-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]urea.
What is the SMILES notation for 1-(4-tert-butylphenyl)-3-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]urea?
The canonical SMILES for 1-(4-tert-butylphenyl)-3-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]urea is Cn1cc(C(O)CNC(=O)Nc2ccc(C(C)(C)C)cc2)c2ccccc21.
What is the InChIKey of 1-(4-tert-butylphenyl)-3-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]urea?
The InChIKey is MSJNCLLKHVZLIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O2/c1-22(2,3)15-9-11-16(12-10-15)24-21(27)23-13-20(26)18-14-25(4)19-8-6-5-7-17(18)19/h5-12,14,20,26H,13H2,1-4H3,(H2,23,24,27).
What are the key properties of 1-(4-tert-butylphenyl)-3-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]urea?
1-(4-tert-butylphenyl)-3-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]urea has a molecular weight of 365.48 g/mol, XLogP of 4.33, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylphenyl)-3-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]urea is sourced from PubChem (CID 90535325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).