3-[(1S)-2,3-dihydro-1H-inden-1-yl]-1-ethyl-1-(furan-3-ylmethyl)urea

C17H20N2O2 — CID 95160392

IUPAC3-[(1S)-2,3-dihydro-1H-inden-1-yl]-1-ethyl-1-(furan-3-ylmethyl)urea
SMILESCCN(Cc1ccoc1)C(=O)N[C@H]1CCc2ccccc21
InChIInChI=1S/C17H20N2O2/c1-2-19(11-13-9-10-21-12-13)17(20)18-16-8-7-14-5-3-4-6-15(14)16/h3-6,9-10,12,16H,2,7-8,11H2,1H3,(H,18,20)/t16-/m0/s1
InChIKeyWKERRVWODBIUKN-INIZCTEOSA-N
MW284.36 g/mol
LogP3.50
Rot. Bonds4

About 3-[(1S)-2,3-dihydro-1H-inden-1-yl]-1-ethyl-1-(furan-3-ylmethyl)urea

3-[(1S)-2,3-dihydro-1H-inden-1-yl]-1-ethyl-1-(furan-3-ylmethyl)urea (PubChem CID 95160392) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is 3-[(1S)-2,3-dihydro-1H-inden-1-yl]-1-ethyl-1-(furan-3-ylmethyl)urea.

Molecular Properties

Compound Name3-[(1S)-2,3-dihydro-1H-inden-1-yl]-1-ethyl-1-(furan-3-ylmethyl)urea
PubChem CID95160392
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Name3-[(1S)-2,3-dihydro-1H-inden-1-yl]-1-ethyl-1-(furan-3-ylmethyl)urea
SMILESCCN(Cc1ccoc1)C(=O)N[C@H]1CCc2ccccc21
InChIInChI=1S/C17H20N2O2/c1-2-19(11-13-9-10-21-12-13)17(20)18-16-8-7-14-5-3-4-6-15(14)16/h3-6,9-10,12,16H,2,7-8,11H2,1H3,(H,18,20)/t16-/m0/s1
InChIKeyWKERRVWODBIUKN-INIZCTEOSA-N
XLogP3.50
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-ethyl-1-(furan-3-ylmethyl)-3-[(1R,2R)-2-phenylcyclopropyl]urea
CID 95281147
3-[(1R)-2,3-dihydro-1H-inden-1-yl]-1-(3-hydroxypropyl)-1-(pyridin-4-ylmethyl)urea
CID 97226906
3-(2,3-dihydro-1H-inden-1-yl)-1-(2-hydroxyethyl)-1-prop-2-enylurea
CID 111424123
1-cyano-3-(2,3-dihydro-1H-inden-1-yl)-1-sulfanylurea
CID 57031420
1-ethyl-1-(furan-3-ylmethyl)-3-[(2R)-2-methoxy-2-phenylethyl]urea
CID 95637612
N-ethyl-N-(furan-3-ylmethyl)-2-(2-oxo-3,4-dihydro-1H-quinolin-4-yl)acetamide
CID 136563314
N-[(1R)-2,3-dihydro-1H-inden-1-yl]-2-methoxyacetamide
CID 24895519
N-[(1S)-2,3-dihydro-1H-inden-1-yl]dodecanamide
CID 23624796
3-[(1S)-2,3-dihydro-1H-inden-1-yl]-1-methyl-1-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylmethyl)urea
CID 126443872
N-(2,3-dihydro-1H-inden-1-yl)-2-methylfuran-3-carboxamide
CID 47015555
2-[benzyl(ethyl)amino]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 8541655
1-ethyl-1-(furan-3-ylmethyl)-3-(4-hydroxy-2,2-dimethylpentyl)urea
CID 111507357

Frequently Asked Questions

What is the IUPAC name of 3-[(1S)-2,3-dihydro-1H-inden-1-yl]-1-ethyl-1-(furan-3-ylmethyl)urea?
The IUPAC name of 3-[(1S)-2,3-dihydro-1H-inden-1-yl]-1-ethyl-1-(furan-3-ylmethyl)urea (CID 95160392) is 3-[(1S)-2,3-dihydro-1H-inden-1-yl]-1-ethyl-1-(furan-3-ylmethyl)urea.
What is the SMILES notation for 3-[(1S)-2,3-dihydro-1H-inden-1-yl]-1-ethyl-1-(furan-3-ylmethyl)urea?
The canonical SMILES for 3-[(1S)-2,3-dihydro-1H-inden-1-yl]-1-ethyl-1-(furan-3-ylmethyl)urea is CCN(Cc1ccoc1)C(=O)N[C@H]1CCc2ccccc21.
What is the InChIKey of 3-[(1S)-2,3-dihydro-1H-inden-1-yl]-1-ethyl-1-(furan-3-ylmethyl)urea?
The InChIKey is WKERRVWODBIUKN-INIZCTEOSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-2-19(11-13-9-10-21-12-13)17(20)18-16-8-7-14-5-3-4-6-15(14)16/h3-6,9-10,12,16H,2,7-8,11H2,1H3,(H,18,20)/t16-/m0/s1.
What are the key properties of 3-[(1S)-2,3-dihydro-1H-inden-1-yl]-1-ethyl-1-(furan-3-ylmethyl)urea?
3-[(1S)-2,3-dihydro-1H-inden-1-yl]-1-ethyl-1-(furan-3-ylmethyl)urea has a molecular weight of 284.36 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1S)-2,3-dihydro-1H-inden-1-yl]-1-ethyl-1-(furan-3-ylmethyl)urea is sourced from PubChem (CID 95160392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).