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

C18H27N3O2 — CID 14763328

IUPAC1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-3-(2-propoxyphenyl)urea
SMILESCCCOc1ccccc1NC(=O)NC1CC2CCC(C1)N2C
InChIInChI=1S/C18H27N3O2/c1-3-10-23-17-7-5-4-6-16(17)20-18(22)19-13-11-14-8-9-15(12-13)21(14)2/h4-7,13-15H,3,8-12H2,1-2H3,(H2,19,20,22)
InChIKeyXGNJQAHLNFGXOR-UHFFFAOYSA-N
MW317.43 g/mol
LogP3.22
Rot. Bonds5

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

1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-3-(2-propoxyphenyl)urea (PubChem CID 14763328) has the molecular formula C18H27N3O2 and a molecular weight of 317.43 g/mol. Its IUPAC name is 1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-3-(2-propoxyphenyl)urea.

Molecular Properties

Compound Name1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-3-(2-propoxyphenyl)urea
PubChem CID14763328
Molecular FormulaC18H27N3O2
Molecular Weight317.43 g/mol
Exact Mass317.21
IUPAC Name1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-3-(2-propoxyphenyl)urea
SMILESCCCOc1ccccc1NC(=O)NC1CC2CCC(C1)N2C
InChIInChI=1S/C18H27N3O2/c1-3-10-23-17-7-5-4-6-16(17)20-18(22)19-13-11-14-8-9-15(12-13)21(14)2/h4-7,13-15H,3,8-12H2,1-2H3,(H2,19,20,22)
InChIKeyXGNJQAHLNFGXOR-UHFFFAOYSA-N
XLogP3.22
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-3-(2-propoxyphenyl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-cyclohexyl-3-(2-propoxyphenyl)urea
CID 47103328
1-(4-hydroxycyclohexyl)-3-(2-propoxyphenyl)urea
CID 110890850
1-[1-(2,2-difluoroethyl)piperidin-4-yl]-3-(2-propoxyphenyl)urea
CID 49111775
1-(2-ethoxyphenyl)-3-(1-propylpiperidin-4-yl)urea
CID 6468357
2-amino-N-(2-propoxyphenyl)pentanamide
CID 43702443
1-[8-(furan-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]-3-(2-methoxyphenyl)urea
CID 3217823
1,3-bis(2-butoxyphenyl)urea
CID 17170447
N-(2,6-diethylphenyl)-2-[(1S,5S)-3-[(2-ethoxyphenyl)carbamoylamino]-9-azabicyclo[3.3.1]nonan-9-yl]acetamide
CID 98111238
3-(cyclopropylamino)-N-(2-propoxyphenyl)propanamide
CID 54925076
methyl N-(2-propoxyphenyl)carbamate
CID 19872099
1-naphthalen-1-yl-3-(2-propoxyphenyl)urea
CID 2067216
2-bromo-2-methyl-N-(2-propoxyphenyl)propanamide
CID 114327800

Frequently Asked Questions

What is the IUPAC name of 1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-3-(2-propoxyphenyl)urea?
The IUPAC name of 1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-3-(2-propoxyphenyl)urea (CID 14763328) is 1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-3-(2-propoxyphenyl)urea.
What is the SMILES notation for 1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-3-(2-propoxyphenyl)urea?
The canonical SMILES for 1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-3-(2-propoxyphenyl)urea is CCCOc1ccccc1NC(=O)NC1CC2CCC(C1)N2C.
What is the InChIKey of 1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-3-(2-propoxyphenyl)urea?
The InChIKey is XGNJQAHLNFGXOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2/c1-3-10-23-17-7-5-4-6-16(17)20-18(22)19-13-11-14-8-9-15(12-13)21(14)2/h4-7,13-15H,3,8-12H2,1-2H3,(H2,19,20,22).
What are the key properties of 1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-3-(2-propoxyphenyl)urea?
1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-3-(2-propoxyphenyl)urea has a molecular weight of 317.43 g/mol, XLogP of 3.22, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-3-(2-propoxyphenyl)urea is sourced from PubChem (CID 14763328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).