1-(2,3-dihydro-1H-inden-5-yl)-3-[(1R,2R)-2-methylcyclohexyl]urea

C17H24N2O — CID 29056444

IUPAC1-(2,3-dihydro-1H-inden-5-yl)-3-[(1R,2R)-2-methylcyclohexyl]urea
SMILESC[C@@H]1CCCC[C@H]1NC(=O)Nc1ccc2c(c1)CCC2
InChIInChI=1S/C17H24N2O/c1-12-5-2-3-8-16(12)19-17(20)18-15-10-9-13-6-4-7-14(13)11-15/h9-12,16H,2-8H2,1H3,(H2,18,19,20)/t12-,16-/m1/s1
InChIKeyHGVJDMPQHDEPHE-MLGOLLRUSA-N
MW272.39 g/mol
LogP3.88
Rot. Bonds2

About 1-(2,3-dihydro-1H-inden-5-yl)-3-[(1R,2R)-2-methylcyclohexyl]urea

1-(2,3-dihydro-1H-inden-5-yl)-3-[(1R,2R)-2-methylcyclohexyl]urea (PubChem CID 29056444) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-inden-5-yl)-3-[(1R,2R)-2-methylcyclohexyl]urea.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-inden-5-yl)-3-[(1R,2R)-2-methylcyclohexyl]urea
PubChem CID29056444
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC Name1-(2,3-dihydro-1H-inden-5-yl)-3-[(1R,2R)-2-methylcyclohexyl]urea
SMILESC[C@@H]1CCCC[C@H]1NC(=O)Nc1ccc2c(c1)CCC2
InChIInChI=1S/C17H24N2O/c1-12-5-2-3-8-16(12)19-17(20)18-15-10-9-13-6-4-7-14(13)11-15/h9-12,16H,2-8H2,1H3,(H2,18,19,20)/t12-,16-/m1/s1
InChIKeyHGVJDMPQHDEPHE-MLGOLLRUSA-N
XLogP3.88
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2,3-dihydro-1H-inden-5-yl)-3-[(1R,2S)-2-methylcyclohexyl]urea
CID 29056445
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
1-[(1S,2R)-2-cyanocyclopentyl]-3-(2,3-dihydro-1H-inden-5-yl)urea
CID 97347739
1-(4-chlorophenyl)-3-[(1S,2R)-2-methylcyclohexyl]urea
CID 40784836
4-[(2-methylcyclohexyl)carbamoylamino]benzoic acid
CID 61191186
3-(2,3-dihydro-1H-inden-5-ylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 66030616
N-[(1S,2R)-2-methylcyclohexyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 9272837
1-(4-aminophenyl)-3-(2-methylcyclopentyl)urea
CID 63279412
2-fluoro-5-[[(1R,2S)-2-methylcyclohexyl]carbamoylamino]benzamide
CID 94059666
1-[3-(2,5-dioxopyrrolidin-1-yl)-4-methylphenyl]-3-[(1S,2R)-2-methylcyclohexyl]urea
CID 95304351
1-(2,3-dihydro-1H-inden-5-yl)-3-(4-ethylcyclohexyl)urea
CID 17249572

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-inden-5-yl)-3-[(1R,2R)-2-methylcyclohexyl]urea?
The IUPAC name of 1-(2,3-dihydro-1H-inden-5-yl)-3-[(1R,2R)-2-methylcyclohexyl]urea (CID 29056444) is 1-(2,3-dihydro-1H-inden-5-yl)-3-[(1R,2R)-2-methylcyclohexyl]urea.
What is the SMILES notation for 1-(2,3-dihydro-1H-inden-5-yl)-3-[(1R,2R)-2-methylcyclohexyl]urea?
The canonical SMILES for 1-(2,3-dihydro-1H-inden-5-yl)-3-[(1R,2R)-2-methylcyclohexyl]urea is C[C@@H]1CCCC[C@H]1NC(=O)Nc1ccc2c(c1)CCC2.
What is the InChIKey of 1-(2,3-dihydro-1H-inden-5-yl)-3-[(1R,2R)-2-methylcyclohexyl]urea?
The InChIKey is HGVJDMPQHDEPHE-MLGOLLRUSA-N. The full InChI is InChI=1S/C17H24N2O/c1-12-5-2-3-8-16(12)19-17(20)18-15-10-9-13-6-4-7-14(13)11-15/h9-12,16H,2-8H2,1H3,(H2,18,19,20)/t12-,16-/m1/s1.
What are the key properties of 1-(2,3-dihydro-1H-inden-5-yl)-3-[(1R,2R)-2-methylcyclohexyl]urea?
1-(2,3-dihydro-1H-inden-5-yl)-3-[(1R,2R)-2-methylcyclohexyl]urea has a molecular weight of 272.39 g/mol, XLogP of 3.88, 2 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-[(1R,2R)-2-methylcyclohexyl]urea is sourced from PubChem (CID 29056444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).