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

C17H24N2O2 — CID 97227635

IUPAC1-[(2R)-2-cyclopropyl-1-hydroxypropan-2-yl]-3-[[(1S)-2,3-dihydro-1H-inden-1-yl]methyl]urea
SMILESC[C@@](CO)(NC(=O)NC[C@H]1CCc2ccccc21)C1CC1
InChIInChI=1S/C17H24N2O2/c1-17(11-20,14-8-9-14)19-16(21)18-10-13-7-6-12-4-2-3-5-15(12)13/h2-5,13-14,20H,6-11H2,1H3,(H2,18,19,21)/t13-,17+/m1/s1
InChIKeyJYJUPMVAFASOPB-DYVFJYSZSA-N
MW288.39 g/mol
LogP2.18
Rot. Bonds5

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

1-[(2R)-2-cyclopropyl-1-hydroxypropan-2-yl]-3-[[(1S)-2,3-dihydro-1H-inden-1-yl]methyl]urea (PubChem CID 97227635) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 1-[(2R)-2-cyclopropyl-1-hydroxypropan-2-yl]-3-[[(1S)-2,3-dihydro-1H-inden-1-yl]methyl]urea.

Molecular Properties

Compound Name1-[(2R)-2-cyclopropyl-1-hydroxypropan-2-yl]-3-[[(1S)-2,3-dihydro-1H-inden-1-yl]methyl]urea
PubChem CID97227635
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name1-[(2R)-2-cyclopropyl-1-hydroxypropan-2-yl]-3-[[(1S)-2,3-dihydro-1H-inden-1-yl]methyl]urea
SMILESC[C@@](CO)(NC(=O)NC[C@H]1CCc2ccccc21)C1CC1
InChIInChI=1S/C17H24N2O2/c1-17(11-20,14-8-9-14)19-16(21)18-10-13-7-6-12-4-2-3-5-15(12)13/h2-5,13-14,20H,6-11H2,1H3,(H2,18,19,21)/t13-,17+/m1/s1
InChIKeyJYJUPMVAFASOPB-DYVFJYSZSA-N
XLogP2.18
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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

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Related Compounds

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3-(2,3-dihydro-1H-inden-1-ylmethylamino)-2-methyl-3-oxopropanoic acid
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1-(1-cyclopropylsulfonylpiperidin-4-yl)-3-(2,3-dihydro-1H-inden-1-ylmethyl)urea
CID 126776766
2-(cyclopropylmethylamino)-N-(2,3-dihydro-1H-inden-1-ylmethyl)acetamide;hydrochloride
CID 119783179
1-(2-cyclopropyl-1-hydroxypropan-2-yl)-3-(2-propan-2-ylphenyl)urea
CID 111976218
2-(2,3-dihydro-1H-inden-1-yl)-N-(2-hydroxy-2,3-dimethylbutyl)acetamide
CID 111484467
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CID 120592176
2-amino-N-(2,3-dihydro-1H-inden-1-ylmethyl)-2-phenylacetamide;hydrochloride
CID 119323377
(2S,4S)-N-(2,3-dihydro-1H-inden-1-ylmethyl)-2-methylpiperidine-4-carboxamide;hydrochloride
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1-(2-benzylphenyl)-3-(2-cyclopropyl-1-hydroxypropan-2-yl)urea
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Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-cyclopropyl-1-hydroxypropan-2-yl]-3-[[(1S)-2,3-dihydro-1H-inden-1-yl]methyl]urea?
The IUPAC name of 1-[(2R)-2-cyclopropyl-1-hydroxypropan-2-yl]-3-[[(1S)-2,3-dihydro-1H-inden-1-yl]methyl]urea (CID 97227635) is 1-[(2R)-2-cyclopropyl-1-hydroxypropan-2-yl]-3-[[(1S)-2,3-dihydro-1H-inden-1-yl]methyl]urea.
What is the SMILES notation for 1-[(2R)-2-cyclopropyl-1-hydroxypropan-2-yl]-3-[[(1S)-2,3-dihydro-1H-inden-1-yl]methyl]urea?
The canonical SMILES for 1-[(2R)-2-cyclopropyl-1-hydroxypropan-2-yl]-3-[[(1S)-2,3-dihydro-1H-inden-1-yl]methyl]urea is C[C@@](CO)(NC(=O)NC[C@H]1CCc2ccccc21)C1CC1.
What is the InChIKey of 1-[(2R)-2-cyclopropyl-1-hydroxypropan-2-yl]-3-[[(1S)-2,3-dihydro-1H-inden-1-yl]methyl]urea?
The InChIKey is JYJUPMVAFASOPB-DYVFJYSZSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-17(11-20,14-8-9-14)19-16(21)18-10-13-7-6-12-4-2-3-5-15(12)13/h2-5,13-14,20H,6-11H2,1H3,(H2,18,19,21)/t13-,17+/m1/s1.
What are the key properties of 1-[(2R)-2-cyclopropyl-1-hydroxypropan-2-yl]-3-[[(1S)-2,3-dihydro-1H-inden-1-yl]methyl]urea?
1-[(2R)-2-cyclopropyl-1-hydroxypropan-2-yl]-3-[[(1S)-2,3-dihydro-1H-inden-1-yl]methyl]urea has a molecular weight of 288.39 g/mol, XLogP of 2.18, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-cyclopropyl-1-hydroxypropan-2-yl]-3-[[(1S)-2,3-dihydro-1H-inden-1-yl]methyl]urea is sourced from PubChem (CID 97227635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).