1-[(1R)-2,3-dihydro-1H-inden-1-yl]-1-(3-hydroxypropyl)-3-[(2-methylfuran-3-yl)methyl]urea

C19H24N2O3 — CID 97034829

IUPAC1-[(1R)-2,3-dihydro-1H-inden-1-yl]-1-(3-hydroxypropyl)-3-[(2-methylfuran-3-yl)methyl]urea
SMILESCc1occc1CNC(=O)N(CCCO)[C@@H]1CCc2ccccc21
InChIInChI=1S/C19H24N2O3/c1-14-16(9-12-24-14)13-20-19(23)21(10-4-11-22)18-8-7-15-5-2-3-6-17(15)18/h2-3,5-6,9,12,18,22H,4,7-8,10-11,13H2,1H3,(H,20,23)/t18-/m1/s1
InChIKeyCAIOKNOTAROTEP-GOSISDBHSA-N
MW328.41 g/mol
LogP3.17
Rot. Bonds6

About 1-[(1R)-2,3-dihydro-1H-inden-1-yl]-1-(3-hydroxypropyl)-3-[(2-methylfuran-3-yl)methyl]urea

1-[(1R)-2,3-dihydro-1H-inden-1-yl]-1-(3-hydroxypropyl)-3-[(2-methylfuran-3-yl)methyl]urea (PubChem CID 97034829) has the molecular formula C19H24N2O3 and a molecular weight of 328.41 g/mol. Its IUPAC name is 1-[(1R)-2,3-dihydro-1H-inden-1-yl]-1-(3-hydroxypropyl)-3-[(2-methylfuran-3-yl)methyl]urea.

Molecular Properties

Compound Name1-[(1R)-2,3-dihydro-1H-inden-1-yl]-1-(3-hydroxypropyl)-3-[(2-methylfuran-3-yl)methyl]urea
PubChem CID97034829
Molecular FormulaC19H24N2O3
Molecular Weight328.41 g/mol
Exact Mass328.18
IUPAC Name1-[(1R)-2,3-dihydro-1H-inden-1-yl]-1-(3-hydroxypropyl)-3-[(2-methylfuran-3-yl)methyl]urea
SMILESCc1occc1CNC(=O)N(CCCO)[C@@H]1CCc2ccccc21
InChIInChI=1S/C19H24N2O3/c1-14-16(9-12-24-14)13-20-19(23)21(10-4-11-22)18-8-7-15-5-2-3-6-17(15)18/h2-3,5-6,9,12,18,22H,4,7-8,10-11,13H2,1H3,(H,20,23)/t18-/m1/s1
InChIKeyCAIOKNOTAROTEP-GOSISDBHSA-N
XLogP3.17
TPSA65.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[(1R)-2,3-dihydro-1H-inden-1-yl]-1-(3-hydroxypropyl)-3-[(2-methylfuran-3-yl)methyl]urea with MolForge

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Related Compounds

1-[(1R)-2,3-dihydro-1H-inden-1-yl]-1-(3-hydroxypropyl)-3-[(6-methyl-2-pyridinyl)methyl]urea
CID 97034691
1-(2,3-dihydro-1H-inden-1-yl)-1-(3-hydroxypropyl)-3-(4-methylphenyl)urea
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1-(2,3-dihydro-1H-inden-1-yl)-1-(3-hydroxypropyl)-3-(2-phenylethyl)urea
CID 111383096
1-(2,3-dihydro-1H-inden-1-yl)-1-(3-hydroxypropyl)-3-phenylurea
CID 111347470
3-benzyl-1-(2,3-dihydro-1H-inden-1-yl)-1-(2-hydroxyethyl)urea
CID 111383072
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CID 122020246
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CID 95769864
1-(3-hydroxypropyl)-3-[(1-methylimidazol-2-yl)methyl]-1-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]urea
CID 97075881
1-[(1R)-2,3-dihydro-1H-inden-1-yl]-1-(3-hydroxypropyl)-3-pyridin-2-ylurea
CID 97083594
1-(2-hydroxyethyl)-3-[(5-methylthiophen-2-yl)methyl]-1-(1,2,3,4-tetrahydronaphthalen-1-yl)urea
CID 111793736
1-(3-hydroxypropyl)-3-(2-morpholin-4-ylethyl)-1-(1,2,3,4-tetrahydronaphthalen-1-yl)urea
CID 71857909
1-(3-hydroxypropyl)-3-(2-morpholin-4-ylethyl)-1-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]urea
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Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-2,3-dihydro-1H-inden-1-yl]-1-(3-hydroxypropyl)-3-[(2-methylfuran-3-yl)methyl]urea?
The IUPAC name of 1-[(1R)-2,3-dihydro-1H-inden-1-yl]-1-(3-hydroxypropyl)-3-[(2-methylfuran-3-yl)methyl]urea (CID 97034829) is 1-[(1R)-2,3-dihydro-1H-inden-1-yl]-1-(3-hydroxypropyl)-3-[(2-methylfuran-3-yl)methyl]urea.
What is the SMILES notation for 1-[(1R)-2,3-dihydro-1H-inden-1-yl]-1-(3-hydroxypropyl)-3-[(2-methylfuran-3-yl)methyl]urea?
The canonical SMILES for 1-[(1R)-2,3-dihydro-1H-inden-1-yl]-1-(3-hydroxypropyl)-3-[(2-methylfuran-3-yl)methyl]urea is Cc1occc1CNC(=O)N(CCCO)[C@@H]1CCc2ccccc21.
What is the InChIKey of 1-[(1R)-2,3-dihydro-1H-inden-1-yl]-1-(3-hydroxypropyl)-3-[(2-methylfuran-3-yl)methyl]urea?
The InChIKey is CAIOKNOTAROTEP-GOSISDBHSA-N. The full InChI is InChI=1S/C19H24N2O3/c1-14-16(9-12-24-14)13-20-19(23)21(10-4-11-22)18-8-7-15-5-2-3-6-17(15)18/h2-3,5-6,9,12,18,22H,4,7-8,10-11,13H2,1H3,(H,20,23)/t18-/m1/s1.
What are the key properties of 1-[(1R)-2,3-dihydro-1H-inden-1-yl]-1-(3-hydroxypropyl)-3-[(2-methylfuran-3-yl)methyl]urea?
1-[(1R)-2,3-dihydro-1H-inden-1-yl]-1-(3-hydroxypropyl)-3-[(2-methylfuran-3-yl)methyl]urea has a molecular weight of 328.41 g/mol, XLogP of 3.17, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-2,3-dihydro-1H-inden-1-yl]-1-(3-hydroxypropyl)-3-[(2-methylfuran-3-yl)methyl]urea is sourced from PubChem (CID 97034829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).