1-(2,3-dihydro-1H-inden-5-yl)-3-(4-ethylphenyl)urea

C18H20N2O — CID 17282136

IUPAC1-(2,3-dihydro-1H-inden-5-yl)-3-(4-ethylphenyl)urea
SMILESCCc1ccc(NC(=O)Nc2ccc3c(c2)CCC3)cc1
InChIInChI=1S/C18H20N2O/c1-2-13-6-9-16(10-7-13)19-18(21)20-17-11-8-14-4-3-5-15(14)12-17/h6-12H,2-5H2,1H3,(H2,19,20,21)
InChIKeyKDIGKIFEYLLCBJ-UHFFFAOYSA-N
MW280.37 g/mol
LogP4.38
Rot. Bonds3

About 1-(2,3-dihydro-1H-inden-5-yl)-3-(4-ethylphenyl)urea

1-(2,3-dihydro-1H-inden-5-yl)-3-(4-ethylphenyl)urea (PubChem CID 17282136) has the molecular formula C18H20N2O and a molecular weight of 280.37 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-inden-5-yl)-3-(4-ethylphenyl)urea.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-inden-5-yl)-3-(4-ethylphenyl)urea
PubChem CID17282136
Molecular FormulaC18H20N2O
Molecular Weight280.37 g/mol
Exact Mass280.16
IUPAC Name1-(2,3-dihydro-1H-inden-5-yl)-3-(4-ethylphenyl)urea
SMILESCCc1ccc(NC(=O)Nc2ccc3c(c2)CCC3)cc1
InChIInChI=1S/C18H20N2O/c1-2-13-6-9-16(10-7-13)19-18(21)20-17-11-8-14-4-3-5-15(14)12-17/h6-12H,2-5H2,1H3,(H2,19,20,21)
InChIKeyKDIGKIFEYLLCBJ-UHFFFAOYSA-N
XLogP4.38
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2,3-dihydro-1H-inden-5-yl)-3-pyridin-4-ylurea
CID 17250078
1-[(6S)-6-amino-5,6,7,8-tetrahydronaphthalen-2-yl]-3-(4-ethylphenyl)urea;hydrochloride
CID 129111805
[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl] 4-ethylbenzoate
CID 7775505
N-(5,6,7,8-tetrahydronaphthalen-2-yl)propanamide
CID 59873074
1-butyl-3-(2,3-dihydro-1H-inden-5-yl)urea
CID 17267646
1-(4-butylphenyl)-3-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)urea
CID 44536218
1-amino-3-(5,6,7,8-tetrahydronaphthalen-2-yl)urea
CID 115192342
1-(2,3-dihydro-1H-inden-5-yl)-3-[(1S)-1-(4-propylphenyl)ethyl]urea
CID 29057331
N-(2,3-dihydro-1H-inden-5-yl)-2-oxoacetamide
CID 115165888
1-(2,3-dihydro-1H-inden-5-yl)-3-(4-ethylcyclohexyl)urea
CID 17249572
2-(4-chlorophenyl)-N-(2,3-dihydro-1H-inden-5-yl)acetamide
CID 2634509
1-(1,3-benzodioxol-5-yl)-3-(4-ethylphenyl)urea
CID 6466543

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-inden-5-yl)-3-(4-ethylphenyl)urea?
The IUPAC name of 1-(2,3-dihydro-1H-inden-5-yl)-3-(4-ethylphenyl)urea (CID 17282136) is 1-(2,3-dihydro-1H-inden-5-yl)-3-(4-ethylphenyl)urea.
What is the SMILES notation for 1-(2,3-dihydro-1H-inden-5-yl)-3-(4-ethylphenyl)urea?
The canonical SMILES for 1-(2,3-dihydro-1H-inden-5-yl)-3-(4-ethylphenyl)urea is CCc1ccc(NC(=O)Nc2ccc3c(c2)CCC3)cc1.
What is the InChIKey of 1-(2,3-dihydro-1H-inden-5-yl)-3-(4-ethylphenyl)urea?
The InChIKey is KDIGKIFEYLLCBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O/c1-2-13-6-9-16(10-7-13)19-18(21)20-17-11-8-14-4-3-5-15(14)12-17/h6-12H,2-5H2,1H3,(H2,19,20,21).
What are the key properties of 1-(2,3-dihydro-1H-inden-5-yl)-3-(4-ethylphenyl)urea?
1-(2,3-dihydro-1H-inden-5-yl)-3-(4-ethylphenyl)urea has a molecular weight of 280.37 g/mol, XLogP of 4.38, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1H-inden-5-yl)-3-(4-ethylphenyl)urea is sourced from PubChem (CID 17282136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).