3-(2-methoxy-2-methylpropyl)-1-methyl-1-(naphthalen-1-ylmethyl)urea

C18H24N2O2 — CID 119073868

IUPAC3-(2-methoxy-2-methylpropyl)-1-methyl-1-(naphthalen-1-ylmethyl)urea
SMILESCOC(C)(C)CNC(=O)N(C)Cc1cccc2ccccc12
InChIInChI=1S/C18H24N2O2/c1-18(2,22-4)13-19-17(21)20(3)12-15-10-7-9-14-8-5-6-11-16(14)15/h5-11H,12-13H2,1-4H3,(H,19,21)
InChIKeyOEVRFBKOJURLQV-UHFFFAOYSA-N
MW300.40 g/mol
LogP3.41
Rot. Bonds5

About 3-(2-methoxy-2-methylpropyl)-1-methyl-1-(naphthalen-1-ylmethyl)urea

3-(2-methoxy-2-methylpropyl)-1-methyl-1-(naphthalen-1-ylmethyl)urea (PubChem CID 119073868) has the molecular formula C18H24N2O2 and a molecular weight of 300.40 g/mol. Its IUPAC name is 3-(2-methoxy-2-methylpropyl)-1-methyl-1-(naphthalen-1-ylmethyl)urea.

Molecular Properties

Compound Name3-(2-methoxy-2-methylpropyl)-1-methyl-1-(naphthalen-1-ylmethyl)urea
PubChem CID119073868
Molecular FormulaC18H24N2O2
Molecular Weight300.40 g/mol
Exact Mass300.18
IUPAC Name3-(2-methoxy-2-methylpropyl)-1-methyl-1-(naphthalen-1-ylmethyl)urea
SMILESCOC(C)(C)CNC(=O)N(C)Cc1cccc2ccccc12
InChIInChI=1S/C18H24N2O2/c1-18(2,22-4)13-19-17(21)20(3)12-15-10-7-9-14-8-5-6-11-16(14)15/h5-11H,12-13H2,1-4H3,(H,19,21)
InChIKeyOEVRFBKOJURLQV-UHFFFAOYSA-N
XLogP3.41
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(3-methoxyphenyl)methyl]-1-methyl-1-(naphthalen-1-ylmethyl)urea
CID 86999385
propan-2-yl 3-[[methyl(naphthalen-1-ylmethyl)carbamoyl]amino]propanoate
CID 87002837
3-[(2,5-dimethylfuran-3-yl)methyl]-1-methyl-1-(naphthalen-1-ylmethyl)urea
CID 86952421
N,N-dimethyl-3-[[methyl(naphthalen-1-ylmethyl)carbamoyl]amino]benzamide
CID 55816812
N-methyl-N-(naphthalen-1-ylmethyl)carbamoyl bromide
CID 115193849
1-(2-methoxy-2-methylpropyl)-2-methyl-3-(naphthalen-1-ylmethyl)guanidine;hydroiodide
CID 111605668
N-(2-hydroxy-2-methylpropyl)-2-naphthalen-1-ylacetamide
CID 65110602
N-[2-methoxy-4-[[methyl(naphthalen-1-ylmethyl)carbamoyl]amino]phenyl]acetamide
CID 51118769
1-methyl-3-(4-methyl-1,3-thiazol-2-yl)-1-(naphthalen-1-ylmethyl)urea
CID 87008976
4-hydroxy-N-methyl-N-(naphthalen-1-ylmethyl)butanamide
CID 115163076
2-cyano-N-methyl-N-(naphthalen-1-ylmethyl)acetamide
CID 115173236
1-[(2-fluorophenyl)methyl]-3-[(3-methoxyphenyl)methyl]-1-methylurea
CID 38148280

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxy-2-methylpropyl)-1-methyl-1-(naphthalen-1-ylmethyl)urea?
The IUPAC name of 3-(2-methoxy-2-methylpropyl)-1-methyl-1-(naphthalen-1-ylmethyl)urea (CID 119073868) is 3-(2-methoxy-2-methylpropyl)-1-methyl-1-(naphthalen-1-ylmethyl)urea.
What is the SMILES notation for 3-(2-methoxy-2-methylpropyl)-1-methyl-1-(naphthalen-1-ylmethyl)urea?
The canonical SMILES for 3-(2-methoxy-2-methylpropyl)-1-methyl-1-(naphthalen-1-ylmethyl)urea is COC(C)(C)CNC(=O)N(C)Cc1cccc2ccccc12.
What is the InChIKey of 3-(2-methoxy-2-methylpropyl)-1-methyl-1-(naphthalen-1-ylmethyl)urea?
The InChIKey is OEVRFBKOJURLQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O2/c1-18(2,22-4)13-19-17(21)20(3)12-15-10-7-9-14-8-5-6-11-16(14)15/h5-11H,12-13H2,1-4H3,(H,19,21).
What are the key properties of 3-(2-methoxy-2-methylpropyl)-1-methyl-1-(naphthalen-1-ylmethyl)urea?
3-(2-methoxy-2-methylpropyl)-1-methyl-1-(naphthalen-1-ylmethyl)urea has a molecular weight of 300.40 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxy-2-methylpropyl)-1-methyl-1-(naphthalen-1-ylmethyl)urea is sourced from PubChem (CID 119073868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).