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

C14H20N2O2 — CID 47236430

IUPAC1-(2,3-dihydro-1H-inden-1-yl)-3-(2-methoxyethyl)-1-methylurea
SMILESCOCCNC(=O)N(C)C1CCc2ccccc21
InChIInChI=1S/C14H20N2O2/c1-16(14(17)15-9-10-18-2)13-8-7-11-5-3-4-6-12(11)13/h3-6,13H,7-10H2,1-2H3,(H,15,17)
InChIKeyZPSHYYZLRBHBQR-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.96
Rot. Bonds4

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

1-(2,3-dihydro-1H-inden-1-yl)-3-(2-methoxyethyl)-1-methylurea (PubChem CID 47236430) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-inden-1-yl)-3-(2-methoxyethyl)-1-methylurea.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-inden-1-yl)-3-(2-methoxyethyl)-1-methylurea
PubChem CID47236430
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name1-(2,3-dihydro-1H-inden-1-yl)-3-(2-methoxyethyl)-1-methylurea
SMILESCOCCNC(=O)N(C)C1CCc2ccccc21
InChIInChI=1S/C14H20N2O2/c1-16(14(17)15-9-10-18-2)13-8-7-11-5-3-4-6-12(11)13/h3-6,13H,7-10H2,1-2H3,(H,15,17)
InChIKeyZPSHYYZLRBHBQR-UHFFFAOYSA-N
XLogP1.96
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-cyclopentyl-3-[[[(1S)-2,3-dihydro-1H-inden-1-yl]-methylcarbamoyl]amino]propanamide
CID 94577269
2-[[(1R)-2,3-dihydro-1H-inden-1-yl]-methylamino]-N-(3-methoxypropyl)acetamide
CID 37058374
N-(2,3-dihydro-1H-inden-1-yl)-4-(2-methoxyethylamino)-N-methyl-3-nitrobenzamide
CID 55539921
2,3-dihydro-1H-inden-1-yl(2-methoxyethoxy)carbamic acid
CID 122658030
2-(2-methoxyethoxy)-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 103601646
methyl 4-[[[(1R)-2,3-dihydro-1H-inden-1-yl]-methylcarbamoyl]amino]piperidine-1-carboxylate
CID 95171492
N-(2,3-dihydro-1H-inden-1-yl)-4-methoxy-N-methylbenzamide
CID 18283889
N-(2,3-dihydro-1H-inden-1-yl)-N,2-dimethyl-3-(methylamino)propanamide
CID 79195999
3-(2-adamantyl)-1-(2,3-dihydro-1H-inden-1-yl)-1-methylurea
CID 112832098
1-methyl-3-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-1-(1,2,3,4-tetrahydronaphthalen-1-yl)urea
CID 47048720
1-methyl-3-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-1-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]urea
CID 94119006
3-[(2-tert-butyl-1,2,4-triazol-3-yl)methyl]-1-(2,3-dihydro-1H-inden-1-yl)-1-methylurea
CID 138992692

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-inden-1-yl)-3-(2-methoxyethyl)-1-methylurea?
The IUPAC name of 1-(2,3-dihydro-1H-inden-1-yl)-3-(2-methoxyethyl)-1-methylurea (CID 47236430) is 1-(2,3-dihydro-1H-inden-1-yl)-3-(2-methoxyethyl)-1-methylurea.
What is the SMILES notation for 1-(2,3-dihydro-1H-inden-1-yl)-3-(2-methoxyethyl)-1-methylurea?
The canonical SMILES for 1-(2,3-dihydro-1H-inden-1-yl)-3-(2-methoxyethyl)-1-methylurea is COCCNC(=O)N(C)C1CCc2ccccc21.
What is the InChIKey of 1-(2,3-dihydro-1H-inden-1-yl)-3-(2-methoxyethyl)-1-methylurea?
The InChIKey is ZPSHYYZLRBHBQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-16(14(17)15-9-10-18-2)13-8-7-11-5-3-4-6-12(11)13/h3-6,13H,7-10H2,1-2H3,(H,15,17).
What are the key properties of 1-(2,3-dihydro-1H-inden-1-yl)-3-(2-methoxyethyl)-1-methylurea?
1-(2,3-dihydro-1H-inden-1-yl)-3-(2-methoxyethyl)-1-methylurea has a molecular weight of 248.33 g/mol, XLogP of 1.96, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1H-inden-1-yl)-3-(2-methoxyethyl)-1-methylurea is sourced from PubChem (CID 47236430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).