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

C20H26N2O — CID 129394390

IUPAC1-(2-adamantyl)-3-[(1R)-2,3-dihydro-1H-inden-1-yl]urea
SMILESO=C(NC1C2CC3CC(C2)CC1C3)N[C@@H]1CCc2ccccc21
InChIInChI=1S/C20H26N2O/c23-20(21-18-6-5-14-3-1-2-4-17(14)18)22-19-15-8-12-7-13(10-15)11-16(19)9-12/h1-4,12-13,15-16,18-19H,5-11H2,(H2,21,22,23)/t12?,13?,15?,16?,18-,19?/m1/s1
InChIKeyQXGXSTVRMCZUPB-VORIMKGTSA-N
MW310.44 g/mol
LogP3.80
Rot. Bonds2

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

1-(2-adamantyl)-3-[(1R)-2,3-dihydro-1H-inden-1-yl]urea (PubChem CID 129394390) has the molecular formula C20H26N2O and a molecular weight of 310.44 g/mol. Its IUPAC name is 1-(2-adamantyl)-3-[(1R)-2,3-dihydro-1H-inden-1-yl]urea.

Molecular Properties

Compound Name1-(2-adamantyl)-3-[(1R)-2,3-dihydro-1H-inden-1-yl]urea
PubChem CID129394390
Molecular FormulaC20H26N2O
Molecular Weight310.44 g/mol
Exact Mass310.20
IUPAC Name1-(2-adamantyl)-3-[(1R)-2,3-dihydro-1H-inden-1-yl]urea
SMILESO=C(NC1C2CC3CC(C2)CC1C3)N[C@@H]1CCc2ccccc21
InChIInChI=1S/C20H26N2O/c23-20(21-18-6-5-14-3-1-2-4-17(14)18)22-19-15-8-12-7-13(10-15)11-16(19)9-12/h1-4,12-13,15-16,18-19H,5-11H2,(H2,21,22,23)/t12?,13?,15?,16?,18-,19?/m1/s1
InChIKeyQXGXSTVRMCZUPB-VORIMKGTSA-N
XLogP3.80
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-cyclobutyl-3-(2,3-dihydro-1H-inden-1-yl)urea
CID 113233184
3-(2-adamantyl)-1-(2,3-dihydro-1H-inden-1-yl)-1-methylurea
CID 112832098
2-(2,3-dihydro-1H-inden-1-ylcarbamoyl)cyclobutane-1-carboxylic acid
CID 120974624
2-(2,3-dihydro-1H-inden-1-ylcarbamoylamino)cycloheptane-1-carboxamide
CID 146081380
N-[(1R)-2,3-dihydro-1H-inden-1-yl]-2-hydroxybenzamide
CID 141027232
1-(2-bromoethyl)-3-(2,3-dihydro-1H-inden-1-yl)urea
CID 59355774
1-[(1S)-2,3-dihydro-1H-inden-1-yl]-3-(2-fluoroethyl)urea
CID 24983548
1-(2,3-dihydro-1H-inden-1-yl)-3-(1,1-dioxothiolan-3-yl)urea
CID 47127977
1-cyclobutyl-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea
CID 115617814
2-chloro-N-[(1S)-2,3-dihydro-1H-inden-1-yl]benzamide
CID 26288569
2-chloro-N-[(1R)-2,3-dihydro-1H-inden-1-yl]benzamide
CID 26288568
N-(2,3-dihydro-1H-inden-1-yl)cyclobutanecarboxamide
CID 47129715

Frequently Asked Questions

What is the IUPAC name of 1-(2-adamantyl)-3-[(1R)-2,3-dihydro-1H-inden-1-yl]urea?
The IUPAC name of 1-(2-adamantyl)-3-[(1R)-2,3-dihydro-1H-inden-1-yl]urea (CID 129394390) is 1-(2-adamantyl)-3-[(1R)-2,3-dihydro-1H-inden-1-yl]urea.
What is the SMILES notation for 1-(2-adamantyl)-3-[(1R)-2,3-dihydro-1H-inden-1-yl]urea?
The canonical SMILES for 1-(2-adamantyl)-3-[(1R)-2,3-dihydro-1H-inden-1-yl]urea is O=C(NC1C2CC3CC(C2)CC1C3)N[C@@H]1CCc2ccccc21.
What is the InChIKey of 1-(2-adamantyl)-3-[(1R)-2,3-dihydro-1H-inden-1-yl]urea?
The InChIKey is QXGXSTVRMCZUPB-VORIMKGTSA-N. The full InChI is InChI=1S/C20H26N2O/c23-20(21-18-6-5-14-3-1-2-4-17(14)18)22-19-15-8-12-7-13(10-15)11-16(19)9-12/h1-4,12-13,15-16,18-19H,5-11H2,(H2,21,22,23)/t12?,13?,15?,16?,18-,19?/m1/s1.
What are the key properties of 1-(2-adamantyl)-3-[(1R)-2,3-dihydro-1H-inden-1-yl]urea?
1-(2-adamantyl)-3-[(1R)-2,3-dihydro-1H-inden-1-yl]urea has a molecular weight of 310.44 g/mol, XLogP of 3.80, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-adamantyl)-3-[(1R)-2,3-dihydro-1H-inden-1-yl]urea is sourced from PubChem (CID 129394390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).