3-(5,6-diethyl-2,3-dihydro-1H-inden-4-yl)-1,1-dimethylurea

C16H24N2O — CID 171086952

IUPAC3-(5,6-diethyl-2,3-dihydro-1H-inden-4-yl)-1,1-dimethylurea
SMILESCCc1cc2c(c(NC(=O)N(C)C)c1CC)CCC2
InChIInChI=1S/C16H24N2O/c1-5-11-10-12-8-7-9-14(12)15(13(11)6-2)17-16(19)18(3)4/h10H,5-9H2,1-4H3,(H,17,19)
InChIKeyHXCZNENSSVGOPG-UHFFFAOYSA-N
MW260.38 g/mol
LogP3.39
Rot. Bonds3

About 3-(5,6-diethyl-2,3-dihydro-1H-inden-4-yl)-1,1-dimethylurea

3-(5,6-diethyl-2,3-dihydro-1H-inden-4-yl)-1,1-dimethylurea (PubChem CID 171086952) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 3-(5,6-diethyl-2,3-dihydro-1H-inden-4-yl)-1,1-dimethylurea.

Molecular Properties

Compound Name3-(5,6-diethyl-2,3-dihydro-1H-inden-4-yl)-1,1-dimethylurea
PubChem CID171086952
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name3-(5,6-diethyl-2,3-dihydro-1H-inden-4-yl)-1,1-dimethylurea
SMILESCCc1cc2c(c(NC(=O)N(C)C)c1CC)CCC2
InChIInChI=1S/C16H24N2O/c1-5-11-10-12-8-7-9-14(12)15(13(11)6-2)17-16(19)18(3)4/h10H,5-9H2,1-4H3,(H,17,19)
InChIKeyHXCZNENSSVGOPG-UHFFFAOYSA-N
XLogP3.39
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(5,6-diethyl-2,3-dihydro-1H-inden-4-yl)-3-(dimethylamino-methyl-oxo-λ6-sulfanylidene)urea
CID 154660331
1-(5,6-diethyl-2,3-dihydro-1H-inden-4-yl)-3-[methyl(phenyl)sulfamoyl]urea
CID 145352517
1-(5,6-diethyl-2,3-dihydro-1H-inden-4-yl)-3-(1,3-dioxothiazepan-1-ylidene)urea
CID 170004338
2-(diethylamino)-N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)propanamide;hydrochloride
CID 3069966
1-[(3,4-diethyl-6-oxo-1H-pyridazin-5-yl)methyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea
CID 166212514
3-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylamino)-3-oxopropanoic acid
CID 162650421
1-[1-(dimethylamino)propan-2-yl-methylamino]sulfanyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea
CID 146395361
diethyl-[(2S)-1-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylamino)-1-oxopropan-2-yl]azanium
CID 6947938
2-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoylamino)-N-methylacetamide
CID 162654807
N-ethyl-2-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoylsulfamoyl)-N-propylacetamide
CID 147887689
1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[2-methoxyethyl(methyl)amino]sulfanylurea
CID 153403844
1-butan-2-ylsulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea
CID 142529699

Frequently Asked Questions

What is the IUPAC name of 3-(5,6-diethyl-2,3-dihydro-1H-inden-4-yl)-1,1-dimethylurea?
The IUPAC name of 3-(5,6-diethyl-2,3-dihydro-1H-inden-4-yl)-1,1-dimethylurea (CID 171086952) is 3-(5,6-diethyl-2,3-dihydro-1H-inden-4-yl)-1,1-dimethylurea.
What is the SMILES notation for 3-(5,6-diethyl-2,3-dihydro-1H-inden-4-yl)-1,1-dimethylurea?
The canonical SMILES for 3-(5,6-diethyl-2,3-dihydro-1H-inden-4-yl)-1,1-dimethylurea is CCc1cc2c(c(NC(=O)N(C)C)c1CC)CCC2.
What is the InChIKey of 3-(5,6-diethyl-2,3-dihydro-1H-inden-4-yl)-1,1-dimethylurea?
The InChIKey is HXCZNENSSVGOPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-5-11-10-12-8-7-9-14(12)15(13(11)6-2)17-16(19)18(3)4/h10H,5-9H2,1-4H3,(H,17,19).
What are the key properties of 3-(5,6-diethyl-2,3-dihydro-1H-inden-4-yl)-1,1-dimethylurea?
3-(5,6-diethyl-2,3-dihydro-1H-inden-4-yl)-1,1-dimethylurea has a molecular weight of 260.38 g/mol, XLogP of 3.39, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5,6-diethyl-2,3-dihydro-1H-inden-4-yl)-1,1-dimethylurea is sourced from PubChem (CID 171086952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).