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

C18H26N2O — CID 17249572

IUPAC1-(2,3-dihydro-1H-inden-5-yl)-3-(4-ethylcyclohexyl)urea
SMILESCCC1CCC(NC(=O)Nc2ccc3c(c2)CCC3)CC1
InChIInChI=1S/C18H26N2O/c1-2-13-6-9-16(10-7-13)19-18(21)20-17-11-8-14-4-3-5-15(14)12-17/h8,11-13,16H,2-7,9-10H2,1H3,(H2,19,20,21)
InChIKeyVYDWZIVOXNIRRO-UHFFFAOYSA-N
MW286.42 g/mol
LogP4.27
Rot. Bonds3

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

1-(2,3-dihydro-1H-inden-5-yl)-3-(4-ethylcyclohexyl)urea (PubChem CID 17249572) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-inden-5-yl)-3-(4-ethylcyclohexyl)urea.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-inden-5-yl)-3-(4-ethylcyclohexyl)urea
PubChem CID17249572
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC Name1-(2,3-dihydro-1H-inden-5-yl)-3-(4-ethylcyclohexyl)urea
SMILESCCC1CCC(NC(=O)Nc2ccc3c(c2)CCC3)CC1
InChIInChI=1S/C18H26N2O/c1-2-13-6-9-16(10-7-13)19-18(21)20-17-11-8-14-4-3-5-15(14)12-17/h8,11-13,16H,2-7,9-10H2,1H3,(H2,19,20,21)
InChIKeyVYDWZIVOXNIRRO-UHFFFAOYSA-N
XLogP4.27
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-cyclohexyl-3-(2,3-dihydro-1H-inden-5-yl)urea
CID 3271031
1-cycloheptyl-3-(2,3-dihydro-1H-inden-5-yl)urea
CID 47132834
3-(2,3-dihydro-1H-inden-5-ylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 66030616
1-(2,3-dihydro-1H-inden-5-yl)-3-spiro[2.5]octan-6-ylurea
CID 166229686
3-[4-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-ylcarbamoylamino)cyclohexyl]propanoic acid
CID 159519072
1-(2,3-dihydro-1H-inden-5-yl)-3-[4-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexyl]urea
CID 166231963
1-(2,3-dihydro-1H-inden-5-yl)-3-[(1R,2S)-2-methylcyclohexyl]urea
CID 29056445
1-(2,3-dihydro-1H-inden-5-yl)-3-[(1R,2R)-2-methylcyclohexyl]urea
CID 29056444
1-cyclopropyl-3-(1,2,3,4-tetrahydroquinolin-6-yl)urea
CID 62698159
1-butyl-3-(2,3-dihydro-1H-inden-5-yl)urea
CID 17267646
N-cyclopropyl-2-(2,3-dihydro-1H-inden-5-yl)acetamide
CID 8623360
N-(5,6,7,8-tetrahydronaphthalen-2-yl)propanamide
CID 59873074

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-inden-5-yl)-3-(4-ethylcyclohexyl)urea?
The IUPAC name of 1-(2,3-dihydro-1H-inden-5-yl)-3-(4-ethylcyclohexyl)urea (CID 17249572) is 1-(2,3-dihydro-1H-inden-5-yl)-3-(4-ethylcyclohexyl)urea.
What is the SMILES notation for 1-(2,3-dihydro-1H-inden-5-yl)-3-(4-ethylcyclohexyl)urea?
The canonical SMILES for 1-(2,3-dihydro-1H-inden-5-yl)-3-(4-ethylcyclohexyl)urea is CCC1CCC(NC(=O)Nc2ccc3c(c2)CCC3)CC1.
What is the InChIKey of 1-(2,3-dihydro-1H-inden-5-yl)-3-(4-ethylcyclohexyl)urea?
The InChIKey is VYDWZIVOXNIRRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O/c1-2-13-6-9-16(10-7-13)19-18(21)20-17-11-8-14-4-3-5-15(14)12-17/h8,11-13,16H,2-7,9-10H2,1H3,(H2,19,20,21).
What are the key properties of 1-(2,3-dihydro-1H-inden-5-yl)-3-(4-ethylcyclohexyl)urea?
1-(2,3-dihydro-1H-inden-5-yl)-3-(4-ethylcyclohexyl)urea has a molecular weight of 286.42 g/mol, XLogP of 4.27, 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-ethylcyclohexyl)urea is sourced from PubChem (CID 17249572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).