2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)acetamide

C18H25N3O2 — CID 119889245

IUPAC2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)acetamide
SMILESCN1CCOc2ccc(NC(=O)CC3CC4CCC(C3)N4)cc21
InChIInChI=1S/C18H25N3O2/c1-21-6-7-23-17-5-4-15(11-16(17)21)20-18(22)10-12-8-13-2-3-14(9-12)19-13/h4-5,11-14,19H,2-3,6-10H2,1H3,(H,20,22)
InChIKeyBAOWGYIWACCVFS-UHFFFAOYSA-N
MW315.42 g/mol
LogP2.37
Rot. Bonds3

About 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)acetamide

2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)acetamide (PubChem CID 119889245) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)acetamide.

Molecular Properties

Compound Name2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)acetamide
PubChem CID119889245
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC Name2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)acetamide
SMILESCN1CCOc2ccc(NC(=O)CC3CC4CCC(C3)N4)cc21
InChIInChI=1S/C18H25N3O2/c1-21-6-7-23-17-5-4-15(11-16(17)21)20-18(22)10-12-8-13-2-3-14(9-12)19-13/h4-5,11-14,19H,2-3,6-10H2,1H3,(H,20,22)
InChIKeyBAOWGYIWACCVFS-UHFFFAOYSA-N
XLogP2.37
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(1,3-benzodioxol-5-yl)acetamide;hydrochloride
CID 119668960
3-amino-N-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)propanamide
CID 83626295
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[4-(morpholine-4-carbonyl)phenyl]acetamide;hydrochloride
CID 119712383
N-[4-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]phenyl]propanamide;hydrochloride
CID 119735821
N-(3-acetamido-4-methylphenyl)-2-(8-azabicyclo[3.2.1]octan-3-yl)acetamide
CID 119711365
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1-methylpiperidin-4-yl)acetamide
CID 95969590
1,1-diethyl-3-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)urea
CID 110639588
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[4-(2-morpholin-4-ylethyl)phenyl]acetamide
CID 119860954
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[4-methyl-3-(trifluoromethyl)phenyl]acetamide
CID 119697637
2-methyl-N-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)propanamide
CID 110639526
N-(3-acetylphenyl)-2-(8-azabicyclo[3.2.1]octan-3-yl)acetamide
CID 79610778
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[4-methoxy-3-(tetrazol-1-yl)phenyl]acetamide
CID 119798058

Frequently Asked Questions

What is the IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)acetamide?
The IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)acetamide (CID 119889245) is 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)acetamide.
What is the SMILES notation for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)acetamide?
The canonical SMILES for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)acetamide is CN1CCOc2ccc(NC(=O)CC3CC4CCC(C3)N4)cc21.
What is the InChIKey of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)acetamide?
The InChIKey is BAOWGYIWACCVFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2/c1-21-6-7-23-17-5-4-15(11-16(17)21)20-18(22)10-12-8-13-2-3-14(9-12)19-13/h4-5,11-14,19H,2-3,6-10H2,1H3,(H,20,22).
What are the key properties of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)acetamide?
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)acetamide has a molecular weight of 315.42 g/mol, XLogP of 2.37, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)acetamide is sourced from PubChem (CID 119889245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).