1-[2,6-di(propan-2-yl)phenyl]-3-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]urea

C23H30N2O2 — CID 14555243

IUPAC1-[2,6-di(propan-2-yl)phenyl]-3-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]urea
SMILESCC(C)c1cccc(C(C)C)c1NC(=O)NCC1(O)CCc2ccccc21
InChIInChI=1S/C23H30N2O2/c1-15(2)18-9-7-10-19(16(3)4)21(18)25-22(26)24-14-23(27)13-12-17-8-5-6-11-20(17)23/h5-11,15-16,27H,12-14H2,1-4H3,(H2,24,25,26)
InChIKeyAZYIJARWIXEWFO-UHFFFAOYSA-N
MW366.51 g/mol
LogP4.89
Rot. Bonds5

About 1-[2,6-di(propan-2-yl)phenyl]-3-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]urea

1-[2,6-di(propan-2-yl)phenyl]-3-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]urea (PubChem CID 14555243) has the molecular formula C23H30N2O2 and a molecular weight of 366.51 g/mol. Its IUPAC name is 1-[2,6-di(propan-2-yl)phenyl]-3-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]urea.

Molecular Properties

Compound Name1-[2,6-di(propan-2-yl)phenyl]-3-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]urea
PubChem CID14555243
Molecular FormulaC23H30N2O2
Molecular Weight366.51 g/mol
Exact Mass366.23
IUPAC Name1-[2,6-di(propan-2-yl)phenyl]-3-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]urea
SMILESCC(C)c1cccc(C(C)C)c1NC(=O)NCC1(O)CCc2ccccc21
InChIInChI=1S/C23H30N2O2/c1-15(2)18-9-7-10-19(16(3)4)21(18)25-22(26)24-14-23(27)13-12-17-8-5-6-11-20(17)23/h5-11,15-16,27H,12-14H2,1-4H3,(H2,24,25,26)
InChIKeyAZYIJARWIXEWFO-UHFFFAOYSA-N
XLogP4.89
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.51
LogP ≤ 54.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze 1-[2,6-di(propan-2-yl)phenyl]-3-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]urea with MolForge

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Related Compounds

1-(2,6-Diisopropyl-phenyl)-3-[1-(3-hydroxymethyl-phenyl)-cyclopentylmethyl]-urea
CID 10341425
1-(2,6-Diisopropyl-phenyl)-3-[1-(4-hydroxymethyl-phenyl)-cyclopentylmethyl]-urea
CID 10476581
1-(2,6-Diisopropyl-phenyl)-3-(1-hydroxy-1,2,3,4-tetrahydro-naphthalen-1-ylmethyl)-urea
CID 14555244
1-((2-hydroxy-2,3-dihydro-1H-inden-2-yl)methyl)-3-(4-(trifluoromethyl)phenyl)urea
CID 91631254
1-(2,6-difluorophenyl)-3-((2-methoxy-2,3-dihydro-1H-inden-2-yl)methyl)urea
CID 91631375
(S)-1-cyclopropyl-1-phenyl-2-{3-[o-(trifluoromethyl)phenyl]ureido}-1-ethanol
CID 95379638
1-((1-hydroxy-2,3-dihydro-1H-inden-1-yl)methyl)-3-(3-(trifluoromethyl)phenyl)urea
CID 71782220
1-(3,4-Dimethylphenyl)-3-(2-hydroxy-2-phenylpropyl)urea
CID 56765410
N1-(3,5-dimethylphenyl)-N2-((1-hydroxy-2,3-dihydro-1H-inden-1-yl)methyl)oxalamide
CID 71782198
(S)-1-cyclopropyl-1-phenyl-2-(3-phenylureido)-1-ethanol
CID 95379615
1-(2-Cyclopropyl-2-hydroxy-2-phenylethyl)-3-[2-(trifluoromethyl)phenyl]urea
CID 71788859
N-ethyl-N'-[5-(hexafluoro-2-hydroxy-2-propyl)-4-indanyl]urea
CID 53912241

Frequently Asked Questions

What is the IUPAC name of 1-[2,6-di(propan-2-yl)phenyl]-3-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]urea?
The IUPAC name of 1-[2,6-di(propan-2-yl)phenyl]-3-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]urea (CID 14555243) is 1-[2,6-di(propan-2-yl)phenyl]-3-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]urea.
What is the SMILES notation for 1-[2,6-di(propan-2-yl)phenyl]-3-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]urea?
The canonical SMILES for 1-[2,6-di(propan-2-yl)phenyl]-3-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]urea is CC(C)c1cccc(C(C)C)c1NC(=O)NCC1(O)CCc2ccccc21.
What is the InChIKey of 1-[2,6-di(propan-2-yl)phenyl]-3-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]urea?
The InChIKey is AZYIJARWIXEWFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O2/c1-15(2)18-9-7-10-19(16(3)4)21(18)25-22(26)24-14-23(27)13-12-17-8-5-6-11-20(17)23/h5-11,15-16,27H,12-14H2,1-4H3,(H2,24,25,26).
What are the key properties of 1-[2,6-di(propan-2-yl)phenyl]-3-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]urea?
1-[2,6-di(propan-2-yl)phenyl]-3-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]urea has a molecular weight of 366.51 g/mol, XLogP of 4.89, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,6-di(propan-2-yl)phenyl]-3-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]urea is sourced from PubChem (CID 14555243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).