1-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-[(2-prop-2-enoxyphenyl)methyl]urea

C20H22N2O3 — CID 111117251

IUPAC1-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-[(2-prop-2-enoxyphenyl)methyl]urea
SMILESC=CCOc1ccccc1CNC(=O)NC1c2ccccc2CC1O
InChIInChI=1S/C20H22N2O3/c1-2-11-25-18-10-6-4-8-15(18)13-21-20(24)22-19-16-9-5-3-7-14(16)12-17(19)23/h2-10,17,19,23H,1,11-13H2,(H2,21,22,24)
InChIKeyIRAHWGWKZOBLLB-UHFFFAOYSA-N
MW338.41 g/mol
LogP2.71
Rot. Bonds6

About 1-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-[(2-prop-2-enoxyphenyl)methyl]urea

1-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-[(2-prop-2-enoxyphenyl)methyl]urea (PubChem CID 111117251) has the molecular formula C20H22N2O3 and a molecular weight of 338.41 g/mol. Its IUPAC name is 1-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-[(2-prop-2-enoxyphenyl)methyl]urea.

Molecular Properties

Compound Name1-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-[(2-prop-2-enoxyphenyl)methyl]urea
PubChem CID111117251
Molecular FormulaC20H22N2O3
Molecular Weight338.41 g/mol
Exact Mass338.16
IUPAC Name1-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-[(2-prop-2-enoxyphenyl)methyl]urea
SMILESC=CCOc1ccccc1CNC(=O)NC1c2ccccc2CC1O
InChIInChI=1S/C20H22N2O3/c1-2-11-25-18-10-6-4-8-15(18)13-21-20(24)22-19-16-9-5-3-7-14(16)12-17(19)23/h2-10,17,19,23H,1,11-13H2,(H2,21,22,24)
InChIKeyIRAHWGWKZOBLLB-UHFFFAOYSA-N
XLogP2.71
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 52.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-[(2-fluorophenyl)methyl]-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea
CID 131961678
1-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-(quinolin-4-ylmethyl)urea
CID 111751216
1-(2-hydroxyethyl)-3-[(2-prop-2-enoxyphenyl)methyl]urea
CID 111116921
1-(cyclopropylmethyl)-3-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)urea
CID 110895605
2-[(2-prop-2-enoxyphenyl)methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 119184878
1-(6-oxo-5-azaspiro[3.5]nonan-9-yl)-3-[(2-prop-2-enoxyphenyl)methyl]urea
CID 119052021
N-[(2-prop-2-enoxyphenyl)methyl]piperidine-4-carboxamide
CID 119323072
N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-(2-hydroxyphenyl)acetamide
CID 103819076
1-[2-(2-fluorophenyl)ethyl]-3-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)urea
CID 110895027
1-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-(naphthalen-2-ylmethyl)urea
CID 111104314
3-(2-ethoxyphenyl)-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)propanamide
CID 110903509
1-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-[2-(2-methoxyphenyl)propyl]urea
CID 110923131

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-[(2-prop-2-enoxyphenyl)methyl]urea?
The IUPAC name of 1-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-[(2-prop-2-enoxyphenyl)methyl]urea (CID 111117251) is 1-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-[(2-prop-2-enoxyphenyl)methyl]urea.
What is the SMILES notation for 1-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-[(2-prop-2-enoxyphenyl)methyl]urea?
The canonical SMILES for 1-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-[(2-prop-2-enoxyphenyl)methyl]urea is C=CCOc1ccccc1CNC(=O)NC1c2ccccc2CC1O.
What is the InChIKey of 1-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-[(2-prop-2-enoxyphenyl)methyl]urea?
The InChIKey is IRAHWGWKZOBLLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3/c1-2-11-25-18-10-6-4-8-15(18)13-21-20(24)22-19-16-9-5-3-7-14(16)12-17(19)23/h2-10,17,19,23H,1,11-13H2,(H2,21,22,24).
What are the key properties of 1-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-[(2-prop-2-enoxyphenyl)methyl]urea?
1-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-[(2-prop-2-enoxyphenyl)methyl]urea has a molecular weight of 338.41 g/mol, XLogP of 2.71, 6 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-[(2-prop-2-enoxyphenyl)methyl]urea is sourced from PubChem (CID 111117251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).