N-cyclopropyl-N-[[2-(2-hydroxyethyl)phenyl]methyl]-1,2-diazabicyclo[3.3.1]non-6-ene-6-carboxamide

C20H27N3O2 — CID 141077566

IUPACN-cyclopropyl-N-[[2-(2-hydroxyethyl)phenyl]methyl]-1,2-diazabicyclo[3.3.1]non-6-ene-6-carboxamide
SMILESO=C(C1=CCN2CC1CCN2)N(Cc1ccccc1CCO)C1CC1
InChIInChI=1S/C20H27N3O2/c24-12-9-15-3-1-2-4-16(15)14-23(18-5-6-18)20(25)19-8-11-22-13-17(19)7-10-21-22/h1-4,8,17-18,21,24H,5-7,9-14H2
InChIKeyUOKRSHAZHJMZGH-UHFFFAOYSA-N
MW341.46 g/mol
LogP1.48
Rot. Bonds6

About N-cyclopropyl-N-[[2-(2-hydroxyethyl)phenyl]methyl]-1,2-diazabicyclo[3.3.1]non-6-ene-6-carboxamide

N-cyclopropyl-N-[[2-(2-hydroxyethyl)phenyl]methyl]-1,2-diazabicyclo[3.3.1]non-6-ene-6-carboxamide (PubChem CID 141077566) has the molecular formula C20H27N3O2 and a molecular weight of 341.46 g/mol. Its IUPAC name is N-cyclopropyl-N-[[2-(2-hydroxyethyl)phenyl]methyl]-1,2-diazabicyclo[3.3.1]non-6-ene-6-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-N-[[2-(2-hydroxyethyl)phenyl]methyl]-1,2-diazabicyclo[3.3.1]non-6-ene-6-carboxamide
PubChem CID141077566
Molecular FormulaC20H27N3O2
Molecular Weight341.46 g/mol
Exact Mass341.21
IUPAC NameN-cyclopropyl-N-[[2-(2-hydroxyethyl)phenyl]methyl]-1,2-diazabicyclo[3.3.1]non-6-ene-6-carboxamide
SMILESO=C(C1=CCN2CC1CCN2)N(Cc1ccccc1CCO)C1CC1
InChIInChI=1S/C20H27N3O2/c24-12-9-15-3-1-2-4-16(15)14-23(18-5-6-18)20(25)19-8-11-22-13-17(19)7-10-21-22/h1-4,8,17-18,21,24H,5-7,9-14H2
InChIKeyUOKRSHAZHJMZGH-UHFFFAOYSA-N
XLogP1.48
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-cyclopropyl-N-[[2-(2-hydroxyethyl)phenyl]methyl]-1,2-diazabicyclo[3.3.1]non-6-ene-6-carboxamide with MolForge

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Related Compounds

N-[[2-chloro-5-(3-methoxypropyl)phenyl]methyl]-N-cyclopropyl-1,2-diazabicyclo[3.3.1]non-6-ene-6-carboxamide
CID 159647260
N-cyclopropyl-N-[(2,3-dichlorophenyl)methyl]-1-azabicyclo[3.3.1]non-3-ene-4-carboxamide
CID 141077569
N-cyclopropyl-N-[(2,3-diethylphenyl)methyl]bicyclo[3.3.1]non-2-ene-2-carboxamide
CID 141077611
N-[(2-aminophenyl)methyl]-5-bromo-N-cyclopropylthiophene-2-carboxamide
CID 43460891
N-[(2-aminophenyl)methyl]-N-cyclopropyl-4-iodobenzamide
CID 43460874
N-[(2-aminophenyl)methyl]-N-cyclopropyl-2-fluorobenzamide
CID 43460915
N-[(2-bromophenyl)methyl]-N-cyclopropylcarbamoyl chloride
CID 172520075
N-[(2-aminophenyl)methyl]-N-cyclopropylpyrimidine-5-carboxamide
CID 102921257
N-[(2-bromophenyl)methyl]-N-cyclopropyl-3-methylpiperidine-2-carboxamide
CID 107067691
N-cyclopropyl-3-methyl-2-oxo-N-[[2-(trifluoromethyl)phenyl]methyl]-1H-imidazole-5-carboxamide
CID 155952612
N-[(2-bromophenyl)methyl]-N-cyclopropyl-4-hydroxybutanamide
CID 79201119
N-[(2-aminophenyl)methyl]-N-cyclopropyl-6-methylpyridine-2-carboxamide
CID 43460892

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[[2-(2-hydroxyethyl)phenyl]methyl]-1,2-diazabicyclo[3.3.1]non-6-ene-6-carboxamide?
The IUPAC name of N-cyclopropyl-N-[[2-(2-hydroxyethyl)phenyl]methyl]-1,2-diazabicyclo[3.3.1]non-6-ene-6-carboxamide (CID 141077566) is N-cyclopropyl-N-[[2-(2-hydroxyethyl)phenyl]methyl]-1,2-diazabicyclo[3.3.1]non-6-ene-6-carboxamide.
What is the SMILES notation for N-cyclopropyl-N-[[2-(2-hydroxyethyl)phenyl]methyl]-1,2-diazabicyclo[3.3.1]non-6-ene-6-carboxamide?
The canonical SMILES for N-cyclopropyl-N-[[2-(2-hydroxyethyl)phenyl]methyl]-1,2-diazabicyclo[3.3.1]non-6-ene-6-carboxamide is O=C(C1=CCN2CC1CCN2)N(Cc1ccccc1CCO)C1CC1.
What is the InChIKey of N-cyclopropyl-N-[[2-(2-hydroxyethyl)phenyl]methyl]-1,2-diazabicyclo[3.3.1]non-6-ene-6-carboxamide?
The InChIKey is UOKRSHAZHJMZGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O2/c24-12-9-15-3-1-2-4-16(15)14-23(18-5-6-18)20(25)19-8-11-22-13-17(19)7-10-21-22/h1-4,8,17-18,21,24H,5-7,9-14H2.
What are the key properties of N-cyclopropyl-N-[[2-(2-hydroxyethyl)phenyl]methyl]-1,2-diazabicyclo[3.3.1]non-6-ene-6-carboxamide?
N-cyclopropyl-N-[[2-(2-hydroxyethyl)phenyl]methyl]-1,2-diazabicyclo[3.3.1]non-6-ene-6-carboxamide has a molecular weight of 341.46 g/mol, XLogP of 1.48, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[[2-(2-hydroxyethyl)phenyl]methyl]-1,2-diazabicyclo[3.3.1]non-6-ene-6-carboxamide is sourced from PubChem (CID 141077566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).