1-[(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-[(1S,2S)-2-(2-methoxyphenyl)cyclopropyl]urea

C20H22N2O3 — CID 124850518

IUPAC1-[(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-[(1S,2S)-2-(2-methoxyphenyl)cyclopropyl]urea
SMILESCOc1ccccc1[C@@H]1C[C@@H]1NC(=O)N[C@@H]1c2ccccc2C[C@H]1O
InChIInChI=1S/C20H22N2O3/c1-25-18-9-5-4-8-14(18)15-11-16(15)21-20(24)22-19-13-7-3-2-6-12(13)10-17(19)23/h2-9,15-17,19,23H,10-11H2,1H3,(H2,21,22,24)/t15-,16-,17+,19+/m0/s1
InChIKeyHVBNXQOTSLFWRB-IMBTUZDBSA-N
MW338.41 g/mol
LogP2.51
Rot. Bonds4

About 1-[(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-[(1S,2S)-2-(2-methoxyphenyl)cyclopropyl]urea

1-[(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-[(1S,2S)-2-(2-methoxyphenyl)cyclopropyl]urea (PubChem CID 124850518) has the molecular formula C20H22N2O3 and a molecular weight of 338.41 g/mol. Its IUPAC name is 1-[(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-[(1S,2S)-2-(2-methoxyphenyl)cyclopropyl]urea.

Molecular Properties

Compound Name1-[(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-[(1S,2S)-2-(2-methoxyphenyl)cyclopropyl]urea
PubChem CID124850518
Molecular FormulaC20H22N2O3
Molecular Weight338.41 g/mol
Exact Mass338.16
IUPAC Name1-[(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-[(1S,2S)-2-(2-methoxyphenyl)cyclopropyl]urea
SMILESCOc1ccccc1[C@@H]1C[C@@H]1NC(=O)N[C@@H]1c2ccccc2C[C@H]1O
InChIInChI=1S/C20H22N2O3/c1-25-18-9-5-4-8-14(18)15-11-16(15)21-20(24)22-19-13-7-3-2-6-12(13)10-17(19)23/h2-9,15-17,19,23H,10-11H2,1H3,(H2,21,22,24)/t15-,16-,17+,19+/m0/s1
InChIKeyHVBNXQOTSLFWRB-IMBTUZDBSA-N
XLogP2.51
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 52.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-[(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-[(1S,2S)-2-(2-methoxyphenyl)cyclopropyl]urea with MolForge

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Related Compounds

1-[2-(2-fluorophenyl)cyclopropyl]-3-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea
CID 111104264
1-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-(2-phenylcyclopropyl)urea
CID 110906323
1-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-[2-(2-methoxyphenyl)propyl]urea
CID 110923131
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
(2R)-N-tert-butyl-2-[[(1R,2S)-2-(2-methoxyphenyl)cyclopropyl]carbamoylamino]propanamide
CID 98756379
dimethyl (1R,4S,5S,7R)-5-hydroxy-7-(2-methoxyphenyl)cycloheptane-1,4-dicarboxylate
CID 15761619
N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-methoxythiophene-2-carboxamide
CID 96526031
1-tert-butyl-3-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)urea
CID 61367022
(3R)-3-hydroxy-N-[(1S,2S)-2-(2-methoxyphenyl)cyclopropyl]piperidine-1-carboxamide
CID 100866451
1-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-[(3-methoxyphenyl)methyl]urea
CID 110894801
N-[(1S,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-methoxyacetamide
CID 139796474

Frequently Asked Questions

What is the IUPAC name of 1-[(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-[(1S,2S)-2-(2-methoxyphenyl)cyclopropyl]urea?
The IUPAC name of 1-[(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-[(1S,2S)-2-(2-methoxyphenyl)cyclopropyl]urea (CID 124850518) is 1-[(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-[(1S,2S)-2-(2-methoxyphenyl)cyclopropyl]urea.
What is the SMILES notation for 1-[(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-[(1S,2S)-2-(2-methoxyphenyl)cyclopropyl]urea?
The canonical SMILES for 1-[(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-[(1S,2S)-2-(2-methoxyphenyl)cyclopropyl]urea is COc1ccccc1[C@@H]1C[C@@H]1NC(=O)N[C@@H]1c2ccccc2C[C@H]1O.
What is the InChIKey of 1-[(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-[(1S,2S)-2-(2-methoxyphenyl)cyclopropyl]urea?
The InChIKey is HVBNXQOTSLFWRB-IMBTUZDBSA-N. The full InChI is InChI=1S/C20H22N2O3/c1-25-18-9-5-4-8-14(18)15-11-16(15)21-20(24)22-19-13-7-3-2-6-12(13)10-17(19)23/h2-9,15-17,19,23H,10-11H2,1H3,(H2,21,22,24)/t15-,16-,17+,19+/m0/s1.
What are the key properties of 1-[(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-[(1S,2S)-2-(2-methoxyphenyl)cyclopropyl]urea?
1-[(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-[(1S,2S)-2-(2-methoxyphenyl)cyclopropyl]urea has a molecular weight of 338.41 g/mol, XLogP of 2.51, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-[(1S,2S)-2-(2-methoxyphenyl)cyclopropyl]urea is sourced from PubChem (CID 124850518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).