1-methyl-3-(2-methyl-2-bicyclo[2.2.1]heptanyl)-1-phenylurea

C16H22N2O — CID 13474871

IUPAC1-methyl-3-(2-methyl-2-bicyclo[2.2.1]heptanyl)-1-phenylurea
SMILESCN(C(=O)NC1(C)CC2CCC1C2)c1ccccc1
InChIInChI=1S/C16H22N2O/c1-16(11-12-8-9-13(16)10-12)17-15(19)18(2)14-6-4-3-5-7-14/h3-7,12-13H,8-11H2,1-2H3,(H,17,19)
InChIKeySTAVWFCUYKKKNB-UHFFFAOYSA-N
MW258.37 g/mol
LogP3.41
Rot. Bonds2

About 1-methyl-3-(2-methyl-2-bicyclo[2.2.1]heptanyl)-1-phenylurea

1-methyl-3-(2-methyl-2-bicyclo[2.2.1]heptanyl)-1-phenylurea (PubChem CID 13474871) has the molecular formula C16H22N2O and a molecular weight of 258.37 g/mol. Its IUPAC name is 1-methyl-3-(2-methyl-2-bicyclo[2.2.1]heptanyl)-1-phenylurea.

Molecular Properties

Compound Name1-methyl-3-(2-methyl-2-bicyclo[2.2.1]heptanyl)-1-phenylurea
PubChem CID13474871
Molecular FormulaC16H22N2O
Molecular Weight258.37 g/mol
Exact Mass258.17
IUPAC Name1-methyl-3-(2-methyl-2-bicyclo[2.2.1]heptanyl)-1-phenylurea
SMILESCN(C(=O)NC1(C)CC2CCC1C2)c1ccccc1
InChIInChI=1S/C16H22N2O/c1-16(11-12-8-9-13(16)10-12)17-15(19)18(2)14-6-4-3-5-7-14/h3-7,12-13H,8-11H2,1-2H3,(H,17,19)
InChIKeySTAVWFCUYKKKNB-UHFFFAOYSA-N
XLogP3.41
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(diethylamino)-N-[(1R,2R,4S)-2-methyl-2-bicyclo[2.2.1]heptanyl]acetamide
CID 24832202
3-methyl-1-[[methyl(phenyl)carbamoyl]amino]cyclohexane-1-carboxylic acid
CID 61290337
N-(1-adamantyl)-N'-methyl-N'-phenyloxamide
CID 108520987
(1R,2R,4S)-2-phenylbicyclo[2.2.1]heptane-2-carboxylic acid
CID 93484070
1-methyl-1-phenyl-3-(1-phenylcyclobutyl)urea
CID 110469555
3-ethenyl-1-methyl-1-phenylurea
CID 108909168
(1R,2S)-1-N,2-N-dimethyl-1-N,2-N-diphenylcyclohex-4-ene-1,2-dicarboxamide
CID 92533966
(1R,2S,4R)-2-phenylbicyclo[2.2.1]heptan-2-ol
CID 98544518
1-methyl-3-nitroso-1-phenylurea
CID 21116436
[3-[methyl(phenyl)carbamoyl]oxy-1-adamantyl] N-methyl-N-phenylcarbamate
CID 118583406
2-[(3S)-3-amino-2-oxoazepan-1-yl]-N-methyl-N-phenylacetamide
CID 155290574
1-[(1S,2S,4R)-2-methyl-2-bicyclo[2.2.1]heptanyl]ethanone
CID 131122993

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(2-methyl-2-bicyclo[2.2.1]heptanyl)-1-phenylurea?
The IUPAC name of 1-methyl-3-(2-methyl-2-bicyclo[2.2.1]heptanyl)-1-phenylurea (CID 13474871) is 1-methyl-3-(2-methyl-2-bicyclo[2.2.1]heptanyl)-1-phenylurea.
What is the SMILES notation for 1-methyl-3-(2-methyl-2-bicyclo[2.2.1]heptanyl)-1-phenylurea?
The canonical SMILES for 1-methyl-3-(2-methyl-2-bicyclo[2.2.1]heptanyl)-1-phenylurea is CN(C(=O)NC1(C)CC2CCC1C2)c1ccccc1.
What is the InChIKey of 1-methyl-3-(2-methyl-2-bicyclo[2.2.1]heptanyl)-1-phenylurea?
The InChIKey is STAVWFCUYKKKNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-16(11-12-8-9-13(16)10-12)17-15(19)18(2)14-6-4-3-5-7-14/h3-7,12-13H,8-11H2,1-2H3,(H,17,19).
What are the key properties of 1-methyl-3-(2-methyl-2-bicyclo[2.2.1]heptanyl)-1-phenylurea?
1-methyl-3-(2-methyl-2-bicyclo[2.2.1]heptanyl)-1-phenylurea has a molecular weight of 258.37 g/mol, XLogP of 3.41, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(2-methyl-2-bicyclo[2.2.1]heptanyl)-1-phenylurea is sourced from PubChem (CID 13474871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).