3-(2-adamantyl)-1-(2,3-dihydro-1H-inden-1-yl)-1-methylurea

C21H28N2O — CID 112832098

IUPAC3-(2-adamantyl)-1-(2,3-dihydro-1H-inden-1-yl)-1-methylurea
SMILESCN(C(=O)NC1C2CC3CC(C2)CC1C3)C1CCc2ccccc21
InChIInChI=1S/C21H28N2O/c1-23(19-7-6-15-4-2-3-5-18(15)19)21(24)22-20-16-9-13-8-14(11-16)12-17(20)10-13/h2-5,13-14,16-17,19-20H,6-12H2,1H3,(H,22,24)
InChIKeyPTFHHEGYSIWIRO-UHFFFAOYSA-N
MW324.47 g/mol
LogP4.14
Rot. Bonds2

About 3-(2-adamantyl)-1-(2,3-dihydro-1H-inden-1-yl)-1-methylurea

3-(2-adamantyl)-1-(2,3-dihydro-1H-inden-1-yl)-1-methylurea (PubChem CID 112832098) has the molecular formula C21H28N2O and a molecular weight of 324.47 g/mol. Its IUPAC name is 3-(2-adamantyl)-1-(2,3-dihydro-1H-inden-1-yl)-1-methylurea.

Molecular Properties

Compound Name3-(2-adamantyl)-1-(2,3-dihydro-1H-inden-1-yl)-1-methylurea
PubChem CID112832098
Molecular FormulaC21H28N2O
Molecular Weight324.47 g/mol
Exact Mass324.22
IUPAC Name3-(2-adamantyl)-1-(2,3-dihydro-1H-inden-1-yl)-1-methylurea
SMILESCN(C(=O)NC1C2CC3CC(C2)CC1C3)C1CCc2ccccc21
InChIInChI=1S/C21H28N2O/c1-23(19-7-6-15-4-2-3-5-18(15)19)21(24)22-20-16-9-13-8-14(11-16)12-17(20)10-13/h2-5,13-14,16-17,19-20H,6-12H2,1H3,(H,22,24)
InChIKeyPTFHHEGYSIWIRO-UHFFFAOYSA-N
XLogP4.14
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.47
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-adamantyl)-3-[(1R)-2,3-dihydro-1H-inden-1-yl]urea
CID 129394390
(1S,2R,4S)-N-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-methylbicyclo[2.2.1]heptane-2-carboxamide
CID 98785770
methyl 4-[[[(1R)-2,3-dihydro-1H-inden-1-yl]-methylcarbamoyl]amino]piperidine-1-carboxylate
CID 95171492
1-(2,3-dihydro-1H-inden-1-yl)-3-(2-methoxyethyl)-1-methylurea
CID 47236430
N-cyclopentyl-3-[[[(1S)-2,3-dihydro-1H-inden-1-yl]-methylcarbamoyl]amino]propanamide
CID 94577269
4-[2,3-dihydro-1H-inden-1-yl(methyl)amino]-4-oxobutanoic acid
CID 43578444
N-(2,3-dihydro-1H-inden-1-yl)-N-methylbut-2-enamide
CID 112725238
N-(2,3-dihydro-1H-inden-1-yl)-N-methyloxane-4-carboxamide
CID 75868866
N-(2,3-dihydro-1H-inden-1-yl)-N-methyl-3,3-diphenylpropanamide
CID 42941217
(2R)-2-amino-N-(2,3-dihydro-1H-inden-1-yl)-N,3-dimethylbutanamide
CID 79011570
4-amino-N-(2,3-dihydro-1H-inden-1-yl)-N-methylbenzamide
CID 43575493
N-(2,3-dihydro-1H-inden-1-yl)-N,2-dimethyl-3-(methylamino)propanamide
CID 79195999

Frequently Asked Questions

What is the IUPAC name of 3-(2-adamantyl)-1-(2,3-dihydro-1H-inden-1-yl)-1-methylurea?
The IUPAC name of 3-(2-adamantyl)-1-(2,3-dihydro-1H-inden-1-yl)-1-methylurea (CID 112832098) is 3-(2-adamantyl)-1-(2,3-dihydro-1H-inden-1-yl)-1-methylurea.
What is the SMILES notation for 3-(2-adamantyl)-1-(2,3-dihydro-1H-inden-1-yl)-1-methylurea?
The canonical SMILES for 3-(2-adamantyl)-1-(2,3-dihydro-1H-inden-1-yl)-1-methylurea is CN(C(=O)NC1C2CC3CC(C2)CC1C3)C1CCc2ccccc21.
What is the InChIKey of 3-(2-adamantyl)-1-(2,3-dihydro-1H-inden-1-yl)-1-methylurea?
The InChIKey is PTFHHEGYSIWIRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O/c1-23(19-7-6-15-4-2-3-5-18(15)19)21(24)22-20-16-9-13-8-14(11-16)12-17(20)10-13/h2-5,13-14,16-17,19-20H,6-12H2,1H3,(H,22,24).
What are the key properties of 3-(2-adamantyl)-1-(2,3-dihydro-1H-inden-1-yl)-1-methylurea?
3-(2-adamantyl)-1-(2,3-dihydro-1H-inden-1-yl)-1-methylurea has a molecular weight of 324.47 g/mol, XLogP of 4.14, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-adamantyl)-1-(2,3-dihydro-1H-inden-1-yl)-1-methylurea is sourced from PubChem (CID 112832098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).