1-tert-butyl-3-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)urea

C14H20N2O2 — CID 61367022

IUPAC1-tert-butyl-3-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)urea
SMILESCC(C)(C)NC(=O)NC1c2ccccc2CC1O
InChIInChI=1S/C14H20N2O2/c1-14(2,3)16-13(18)15-12-10-7-5-4-6-9(10)8-11(12)17/h4-7,11-12,17H,8H2,1-3H3,(H2,15,16,18)
InChIKeyBIXZTHBIMKICDV-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.74
Rot. Bonds1

About 1-tert-butyl-3-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)urea

1-tert-butyl-3-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)urea (PubChem CID 61367022) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 1-tert-butyl-3-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)urea.

Molecular Properties

Compound Name1-tert-butyl-3-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)urea
PubChem CID61367022
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name1-tert-butyl-3-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)urea
SMILESCC(C)(C)NC(=O)NC1c2ccccc2CC1O
InChIInChI=1S/C14H20N2O2/c1-14(2,3)16-13(18)15-12-10-7-5-4-6-9(10)8-11(12)17/h4-7,11-12,17H,8H2,1-3H3,(H2,15,16,18)
InChIKeyBIXZTHBIMKICDV-UHFFFAOYSA-N
XLogP1.74
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze 1-tert-butyl-3-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-methylcyclopropane-1-carboxamide
CID 113267995
1-cyclopropyl-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea
CID 47374066
1-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-(2-methoxy-2-methylpropyl)urea
CID 111508614
3-(tert-butylamino)-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]propanamide
CID 107222190
2,2,2-trifluoro-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]acetamide
CID 11665946
N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]propanamide
CID 15432723
2-amino-3,3,3-trifluoro-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-methylpropanamide
CID 107222211
2-amino-3,3,3-trifluoro-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-methylpropanamide
CID 107221790
1-(2,5-dimethylphenyl)-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea
CID 51094079
1-(cyclopropylmethyl)-3-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)urea
CID 110895605
1-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-[2-(trifluoromethyl)phenyl]urea
CID 75617082
1-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-(3-methylbutyl)urea
CID 110894408

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)urea?
The IUPAC name of 1-tert-butyl-3-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)urea (CID 61367022) is 1-tert-butyl-3-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)urea.
What is the SMILES notation for 1-tert-butyl-3-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)urea?
The canonical SMILES for 1-tert-butyl-3-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)urea is CC(C)(C)NC(=O)NC1c2ccccc2CC1O.
What is the InChIKey of 1-tert-butyl-3-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)urea?
The InChIKey is BIXZTHBIMKICDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-14(2,3)16-13(18)15-12-10-7-5-4-6-9(10)8-11(12)17/h4-7,11-12,17H,8H2,1-3H3,(H2,15,16,18).
What are the key properties of 1-tert-butyl-3-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)urea?
1-tert-butyl-3-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)urea has a molecular weight of 248.33 g/mol, XLogP of 1.74, 1 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-2,3-dihydro-1H-inden-1-yl)urea is sourced from PubChem (CID 61367022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).