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

C19H20N2O3 — CID 136532845

IUPAC1-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-(3-propanoylphenyl)urea
SMILESCCC(=O)c1cccc(NC(=O)NC2c3ccccc3CC2O)c1
InChIInChI=1S/C19H20N2O3/c1-2-16(22)13-7-5-8-14(10-13)20-19(24)21-18-15-9-4-3-6-12(15)11-17(18)23/h3-10,17-18,23H,2,11H2,1H3,(H2,20,21,24)
InChIKeyYBHOUAIXSXGIND-UHFFFAOYSA-N
MW324.38 g/mol
LogP3.06
Rot. Bonds4

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

1-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-(3-propanoylphenyl)urea (PubChem CID 136532845) has the molecular formula C19H20N2O3 and a molecular weight of 324.38 g/mol. Its IUPAC name is 1-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-(3-propanoylphenyl)urea.

Molecular Properties

Compound Name1-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-(3-propanoylphenyl)urea
PubChem CID136532845
Molecular FormulaC19H20N2O3
Molecular Weight324.38 g/mol
Exact Mass324.15
IUPAC Name1-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-(3-propanoylphenyl)urea
SMILESCCC(=O)c1cccc(NC(=O)NC2c3ccccc3CC2O)c1
InChIInChI=1S/C19H20N2O3/c1-2-16(22)13-7-5-8-14(10-13)20-19(24)21-18-15-9-4-3-6-12(15)11-17(18)23/h3-10,17-18,23H,2,11H2,1H3,(H2,20,21,24)
InChIKeyYBHOUAIXSXGIND-UHFFFAOYSA-N
XLogP3.06
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 53.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-pyridin-4-ylurea
CID 110895973
1-(3-chloro-4-ethoxyphenyl)-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea
CID 60591170
N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]propanamide
CID 15432723
3-bromo-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)benzamide
CID 61368559
1-(3-fluoro-4-methylsulfanylphenyl)-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea
CID 111475405
1-(4-chloro-3-fluorophenyl)-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea
CID 110907999
1-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-(2-methyl-1,3-benzothiazol-6-yl)urea
CID 75920789
1-(1-ethylindazol-6-yl)-3-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea
CID 99816453
1-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea
CID 48806971
1-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-[1-(2-methylpropyl)indol-5-yl]urea
CID 56527654
1-(4-cyanophenyl)-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea
CID 60568438
1-benzyl-3-(3-propanoylphenyl)urea
CID 141242249

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-(3-propanoylphenyl)urea?
The IUPAC name of 1-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-(3-propanoylphenyl)urea (CID 136532845) is 1-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-(3-propanoylphenyl)urea.
What is the SMILES notation for 1-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-(3-propanoylphenyl)urea?
The canonical SMILES for 1-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-(3-propanoylphenyl)urea is CCC(=O)c1cccc(NC(=O)NC2c3ccccc3CC2O)c1.
What is the InChIKey of 1-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-(3-propanoylphenyl)urea?
The InChIKey is YBHOUAIXSXGIND-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3/c1-2-16(22)13-7-5-8-14(10-13)20-19(24)21-18-15-9-4-3-6-12(15)11-17(18)23/h3-10,17-18,23H,2,11H2,1H3,(H2,20,21,24).
What are the key properties of 1-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-(3-propanoylphenyl)urea?
1-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-(3-propanoylphenyl)urea has a molecular weight of 324.38 g/mol, XLogP of 3.06, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-(3-propanoylphenyl)urea is sourced from PubChem (CID 136532845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).