1-tert-butyl-3-[(2-hydroxy-1,3-dihydroinden-2-yl)methyl]urea

C15H22N2O2 — CID 91631246

IUPAC1-tert-butyl-3-[(2-hydroxy-1,3-dihydroinden-2-yl)methyl]urea
SMILESCC(C)(C)NC(=O)NCC1(O)Cc2ccccc2C1
InChIInChI=1S/C15H22N2O2/c1-14(2,3)17-13(18)16-10-15(19)8-11-6-4-5-7-12(11)9-15/h4-7,19H,8-10H2,1-3H3,(H2,16,17,18)
InChIKeyPVAMLQKIDBQFTD-UHFFFAOYSA-N
MW262.35 g/mol
LogP1.61
Rot. Bonds2

About 1-tert-butyl-3-[(2-hydroxy-1,3-dihydroinden-2-yl)methyl]urea

1-tert-butyl-3-[(2-hydroxy-1,3-dihydroinden-2-yl)methyl]urea (PubChem CID 91631246) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 1-tert-butyl-3-[(2-hydroxy-1,3-dihydroinden-2-yl)methyl]urea.

Molecular Properties

Compound Name1-tert-butyl-3-[(2-hydroxy-1,3-dihydroinden-2-yl)methyl]urea
PubChem CID91631246
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name1-tert-butyl-3-[(2-hydroxy-1,3-dihydroinden-2-yl)methyl]urea
SMILESCC(C)(C)NC(=O)NCC1(O)Cc2ccccc2C1
InChIInChI=1S/C15H22N2O2/c1-14(2,3)17-13(18)16-10-15(19)8-11-6-4-5-7-12(11)9-15/h4-7,19H,8-10H2,1-3H3,(H2,16,17,18)
InChIKeyPVAMLQKIDBQFTD-UHFFFAOYSA-N
XLogP1.61
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclohexyl-3-((1-hydroxy-2,3-dihydro-1H-inden-1-yl)methyl)urea
CID 71782213
methyl ((2-hydroxy-2,3-dihydro-1H-inden-2-yl)methyl)carbamate
CID 91631159
4-ethyl-N-[(2-hydroxy-2,3-dihydro-1H-inden-2-yl)methyl]-2,3-dioxopiperazine-1-carboxamide
CID 91631203
1-benzyl-3-((2-hydroxy-2,3-dihydro-1H-inden-2-yl)methyl)urea
CID 91631247
N-((2-methoxy-2,3-dihydro-1H-inden-2-yl)methyl)-2-oxoimidazolidine-1-carboxamide
CID 91631319
1-(tert-butyl)-3-((2-methoxy-2,3-dihydro-1H-inden-2-yl)methyl)urea
CID 91631367
N-{[(S)-1-hydroxy-1-indanyl]methyl}-2-oxo-1-imidazolidinecarboxamide
CID 99873860
4,4,4-trifluoro-N-((2-hydroxy-2,3-dihydro-1H-inden-2-yl)methyl)butanamide
CID 92125394
1-(4-fluorobenzyl)-3-((2-hydroxy-2,3-dihydro-1H-inden-2-yl)methyl)urea
CID 92125615
1-[2-(4-Fluoro-2-methylphenyl)ethyl]-3-[(1-hydroxycyclopentyl)methyl]urea
CID 112138025
1-[(1-Hydroxy-2,3-dihydroinden-1-yl)methyl]-3-[1-[4-(trifluoromethyl)phenyl]propan-2-yl]urea
CID 166180605
1-(Tert-butyl)-3-(2-hydroxy-3-phenylpropyl)urea
CID 56765314

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-[(2-hydroxy-1,3-dihydroinden-2-yl)methyl]urea?
The IUPAC name of 1-tert-butyl-3-[(2-hydroxy-1,3-dihydroinden-2-yl)methyl]urea (CID 91631246) is 1-tert-butyl-3-[(2-hydroxy-1,3-dihydroinden-2-yl)methyl]urea.
What is the SMILES notation for 1-tert-butyl-3-[(2-hydroxy-1,3-dihydroinden-2-yl)methyl]urea?
The canonical SMILES for 1-tert-butyl-3-[(2-hydroxy-1,3-dihydroinden-2-yl)methyl]urea is CC(C)(C)NC(=O)NCC1(O)Cc2ccccc2C1.
What is the InChIKey of 1-tert-butyl-3-[(2-hydroxy-1,3-dihydroinden-2-yl)methyl]urea?
The InChIKey is PVAMLQKIDBQFTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-14(2,3)17-13(18)16-10-15(19)8-11-6-4-5-7-12(11)9-15/h4-7,19H,8-10H2,1-3H3,(H2,16,17,18).
What are the key properties of 1-tert-butyl-3-[(2-hydroxy-1,3-dihydroinden-2-yl)methyl]urea?
1-tert-butyl-3-[(2-hydroxy-1,3-dihydroinden-2-yl)methyl]urea has a molecular weight of 262.35 g/mol, XLogP of 1.61, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-[(2-hydroxy-1,3-dihydroinden-2-yl)methyl]urea is sourced from PubChem (CID 91631246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).