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

C18H22N2O3 — CID 97024875

IUPAC1-[(1S)-1-(furan-2-yl)-2-methoxyethyl]-3-[(1S,2R)-2-methyl-2,3-dihydro-1H-inden-1-yl]urea
SMILESCOC[C@H](NC(=O)N[C@@H]1c2ccccc2C[C@H]1C)c1ccco1
InChIInChI=1S/C18H22N2O3/c1-12-10-13-6-3-4-7-14(13)17(12)20-18(21)19-15(11-22-2)16-8-5-9-23-16/h3-9,12,15,17H,10-11H2,1-2H3,(H2,19,20,21)/t12-,15+,17+/m1/s1
InChIKeySPGWKJZZOBCEPK-PVUWLOKVSA-N
MW314.39 g/mol
LogP3.20
Rot. Bonds5

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

1-[(1S)-1-(furan-2-yl)-2-methoxyethyl]-3-[(1S,2R)-2-methyl-2,3-dihydro-1H-inden-1-yl]urea (PubChem CID 97024875) has the molecular formula C18H22N2O3 and a molecular weight of 314.39 g/mol. Its IUPAC name is 1-[(1S)-1-(furan-2-yl)-2-methoxyethyl]-3-[(1S,2R)-2-methyl-2,3-dihydro-1H-inden-1-yl]urea.

Molecular Properties

Compound Name1-[(1S)-1-(furan-2-yl)-2-methoxyethyl]-3-[(1S,2R)-2-methyl-2,3-dihydro-1H-inden-1-yl]urea
PubChem CID97024875
Molecular FormulaC18H22N2O3
Molecular Weight314.39 g/mol
Exact Mass314.16
IUPAC Name1-[(1S)-1-(furan-2-yl)-2-methoxyethyl]-3-[(1S,2R)-2-methyl-2,3-dihydro-1H-inden-1-yl]urea
SMILESCOC[C@H](NC(=O)N[C@@H]1c2ccccc2C[C@H]1C)c1ccco1
InChIInChI=1S/C18H22N2O3/c1-12-10-13-6-3-4-7-14(13)17(12)20-18(21)19-15(11-22-2)16-8-5-9-23-16/h3-9,12,15,17H,10-11H2,1-2H3,(H2,19,20,21)/t12-,15+,17+/m1/s1
InChIKeySPGWKJZZOBCEPK-PVUWLOKVSA-N
XLogP3.20
TPSA63.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(1S)-1-(furan-2-yl)-2-methoxyethyl]-3-[(1R,2S)-2-methyl-2,3-dihydro-1H-inden-1-yl]urea
CID 97024874
1-[1-(furan-2-yl)-2-methoxyethyl]-3-(4-hydroxycyclohexyl)urea
CID 111566418
1-[(1S)-1-(furan-2-yl)-2-methoxyethyl]-3-[(3R,5R)-5-methyl-1-phenylpyrrolidin-3-yl]urea
CID 97091397
1-[(1R)-4-fluoro-2,3-dihydro-1H-inden-1-yl]-3-[(1R)-1-(furan-2-yl)-2-methoxyethyl]urea
CID 96999589
1-[(1S)-4-fluoro-2,3-dihydro-1H-inden-1-yl]-3-[(1R)-1-(furan-2-yl)-2-methoxyethyl]urea
CID 96999591
1-[(4S)-6,8-dimethyl-3,4-dihydro-2H-chromen-4-yl]-3-[(1S)-1-(furan-2-yl)-2-methoxyethyl]urea
CID 97219941
1-(4-hydroxy-1-methylsulfanylbutan-2-yl)-3-(2-methyl-2,3-dihydro-1H-inden-1-yl)urea
CID 111455468
1-(2-hydroxyethyl)-3-(2-methyl-2,3-dihydro-1H-inden-1-yl)urea
CID 111116927
1-(2-fluoroethyl)-3-(2-methyl-2,3-dihydro-1H-inden-1-yl)urea
CID 25051108
tert-butyl N-[(1R,2S)-2-methyl-2,3-dihydro-1H-inden-1-yl]carbamate
CID 142301737
tert-butyl N-[(1R,2R)-2-methyl-2,3-dihydro-1H-inden-1-yl]carbamate
CID 163763965
1-(2-hydroxy-2,3-dimethylbutyl)-3-(2-methyl-2,3-dihydro-1H-inden-1-yl)urea
CID 111121271

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-1-(furan-2-yl)-2-methoxyethyl]-3-[(1S,2R)-2-methyl-2,3-dihydro-1H-inden-1-yl]urea?
The IUPAC name of 1-[(1S)-1-(furan-2-yl)-2-methoxyethyl]-3-[(1S,2R)-2-methyl-2,3-dihydro-1H-inden-1-yl]urea (CID 97024875) is 1-[(1S)-1-(furan-2-yl)-2-methoxyethyl]-3-[(1S,2R)-2-methyl-2,3-dihydro-1H-inden-1-yl]urea.
What is the SMILES notation for 1-[(1S)-1-(furan-2-yl)-2-methoxyethyl]-3-[(1S,2R)-2-methyl-2,3-dihydro-1H-inden-1-yl]urea?
The canonical SMILES for 1-[(1S)-1-(furan-2-yl)-2-methoxyethyl]-3-[(1S,2R)-2-methyl-2,3-dihydro-1H-inden-1-yl]urea is COC[C@H](NC(=O)N[C@@H]1c2ccccc2C[C@H]1C)c1ccco1.
What is the InChIKey of 1-[(1S)-1-(furan-2-yl)-2-methoxyethyl]-3-[(1S,2R)-2-methyl-2,3-dihydro-1H-inden-1-yl]urea?
The InChIKey is SPGWKJZZOBCEPK-PVUWLOKVSA-N. The full InChI is InChI=1S/C18H22N2O3/c1-12-10-13-6-3-4-7-14(13)17(12)20-18(21)19-15(11-22-2)16-8-5-9-23-16/h3-9,12,15,17H,10-11H2,1-2H3,(H2,19,20,21)/t12-,15+,17+/m1/s1.
What are the key properties of 1-[(1S)-1-(furan-2-yl)-2-methoxyethyl]-3-[(1S,2R)-2-methyl-2,3-dihydro-1H-inden-1-yl]urea?
1-[(1S)-1-(furan-2-yl)-2-methoxyethyl]-3-[(1S,2R)-2-methyl-2,3-dihydro-1H-inden-1-yl]urea has a molecular weight of 314.39 g/mol, XLogP of 3.20, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-1-(furan-2-yl)-2-methoxyethyl]-3-[(1S,2R)-2-methyl-2,3-dihydro-1H-inden-1-yl]urea is sourced from PubChem (CID 97024875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).