1-[2-(methoxymethyl)phenyl]-3-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)urea

C17H25N3O2 — CID 14763354

IUPAC1-[2-(methoxymethyl)phenyl]-3-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)urea
SMILESCOCc1ccccc1NC(=O)NC1CC2CCC(C1)N2C
InChIInChI=1S/C17H25N3O2/c1-20-14-7-8-15(20)10-13(9-14)18-17(21)19-16-6-4-3-5-12(16)11-22-2/h3-6,13-15H,7-11H2,1-2H3,(H2,18,19,21)
InChIKeyFPYNCGMZNCQFLM-UHFFFAOYSA-N
MW303.41 g/mol
LogP2.58
Rot. Bonds4

About 1-[2-(methoxymethyl)phenyl]-3-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)urea

1-[2-(methoxymethyl)phenyl]-3-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)urea (PubChem CID 14763354) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is 1-[2-(methoxymethyl)phenyl]-3-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)urea.

Molecular Properties

Compound Name1-[2-(methoxymethyl)phenyl]-3-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)urea
PubChem CID14763354
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC Name1-[2-(methoxymethyl)phenyl]-3-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)urea
SMILESCOCc1ccccc1NC(=O)NC1CC2CCC(C1)N2C
InChIInChI=1S/C17H25N3O2/c1-20-14-7-8-15(20)10-13(9-14)18-17(21)19-16-6-4-3-5-12(16)11-22-2/h3-6,13-15H,7-11H2,1-2H3,(H2,18,19,21)
InChIKeyFPYNCGMZNCQFLM-UHFFFAOYSA-N
XLogP2.58
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Methyl 2-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)carbamoylamino]benzoate
CID 14763346
Ethyl 2-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)carbamoylamino]benzoate
CID 14763348
1-[[2-(Methoxymethyl)phenyl]methyl]-3-phenylurea
CID 32057494
benzyl N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]carbamate
CID 44438307
1-[(3-Fluorophenyl)methyl]-3-[2-(methoxymethyl)phenyl]urea
CID 45822191
1-[2-(Ethoxymethyl)phenyl]-3-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]urea
CID 49117261
4-((benzyloxy)methyl)-N-(4-fluorophenyl)piperidine-1-carboxamide
CID 49735734
N-[3-(2-ethoxyethoxymethyl)phenyl]-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide
CID 51118872
Ethyl 4-[[2-(ethoxymethyl)phenyl]carbamoylamino]piperidine-1-carboxylate
CID 53521966
3-(propanoylamino)-N-[3-(propan-2-yloxymethyl)phenyl]piperidine-1-carboxamide
CID 53578015
1-[2-(Ethoxymethyl)phenyl]-3-(1-phenylpyrrolidin-3-yl)urea
CID 56782102
N-[2-methyl-3-(propan-2-yloxymethyl)phenyl]-3-pyrrolidin-1-ylpyrrolidine-1-carboxamide
CID 71991925

Frequently Asked Questions

What is the IUPAC name of 1-[2-(methoxymethyl)phenyl]-3-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)urea?
The IUPAC name of 1-[2-(methoxymethyl)phenyl]-3-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)urea (CID 14763354) is 1-[2-(methoxymethyl)phenyl]-3-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)urea.
What is the SMILES notation for 1-[2-(methoxymethyl)phenyl]-3-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)urea?
The canonical SMILES for 1-[2-(methoxymethyl)phenyl]-3-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)urea is COCc1ccccc1NC(=O)NC1CC2CCC(C1)N2C.
What is the InChIKey of 1-[2-(methoxymethyl)phenyl]-3-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)urea?
The InChIKey is FPYNCGMZNCQFLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2/c1-20-14-7-8-15(20)10-13(9-14)18-17(21)19-16-6-4-3-5-12(16)11-22-2/h3-6,13-15H,7-11H2,1-2H3,(H2,18,19,21).
What are the key properties of 1-[2-(methoxymethyl)phenyl]-3-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)urea?
1-[2-(methoxymethyl)phenyl]-3-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)urea has a molecular weight of 303.41 g/mol, XLogP of 2.58, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(methoxymethyl)phenyl]-3-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)urea is sourced from PubChem (CID 14763354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).