2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(2-methoxyethylamino)-2-oxoethyl]-N-methylacetamide

C15H27N3O3 — CID 79610319

IUPAC2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(2-methoxyethylamino)-2-oxoethyl]-N-methylacetamide
SMILESCOCCNC(=O)CN(C)C(=O)CC1CC2CCC(C1)N2
InChIInChI=1S/C15H27N3O3/c1-18(10-14(19)16-5-6-21-2)15(20)9-11-7-12-3-4-13(8-11)17-12/h11-13,17H,3-10H2,1-2H3,(H,16,19)
InChIKeyBRSMFQDWKYQWEM-UHFFFAOYSA-N
MW297.40 g/mol
LogP0.13
Rot. Bonds7

About 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(2-methoxyethylamino)-2-oxoethyl]-N-methylacetamide

2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(2-methoxyethylamino)-2-oxoethyl]-N-methylacetamide (PubChem CID 79610319) has the molecular formula C15H27N3O3 and a molecular weight of 297.40 g/mol. Its IUPAC name is 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(2-methoxyethylamino)-2-oxoethyl]-N-methylacetamide.

Molecular Properties

Compound Name2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(2-methoxyethylamino)-2-oxoethyl]-N-methylacetamide
PubChem CID79610319
Molecular FormulaC15H27N3O3
Molecular Weight297.40 g/mol
Exact Mass297.21
IUPAC Name2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(2-methoxyethylamino)-2-oxoethyl]-N-methylacetamide
SMILESCOCCNC(=O)CN(C)C(=O)CC1CC2CCC(C1)N2
InChIInChI=1S/C15H27N3O3/c1-18(10-14(19)16-5-6-21-2)15(20)9-11-7-12-3-4-13(8-11)17-12/h11-13,17H,3-10H2,1-2H3,(H,16,19)
InChIKeyBRSMFQDWKYQWEM-UHFFFAOYSA-N
XLogP0.13
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-N-(2-methoxyethyl)propanamide
CID 115738495
N-[2-(2-methoxyethylamino)-2-oxoethyl]-N-methyl-2-piperidin-3-ylacetamide
CID 62690384
2-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]-methylamino]acetic acid
CID 79607520
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(5-methoxypentyl)acetamide
CID 103810008
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]acetamide;hydrochloride
CID 119727180
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide
CID 79610320
2-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]-N-(2-methoxyethyl)propanamide
CID 61230707
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[3-(dimethylamino)propyl]-N-methylacetamide
CID 79615612
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(cyclopentylmethyl)-N-methylacetamide;hydrochloride
CID 119759233
cis-(1S,2R)-2-[[2-(2-methoxyethylamino)-2-oxoethyl]-methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 93378992
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(4-methoxybutan-2-yl)acetamide
CID 79615755
2-[[2-(2-methoxyethylamino)-2-oxoethyl]-methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 54875764

Frequently Asked Questions

What is the IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(2-methoxyethylamino)-2-oxoethyl]-N-methylacetamide?
The IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(2-methoxyethylamino)-2-oxoethyl]-N-methylacetamide (CID 79610319) is 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(2-methoxyethylamino)-2-oxoethyl]-N-methylacetamide.
What is the SMILES notation for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(2-methoxyethylamino)-2-oxoethyl]-N-methylacetamide?
The canonical SMILES for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(2-methoxyethylamino)-2-oxoethyl]-N-methylacetamide is COCCNC(=O)CN(C)C(=O)CC1CC2CCC(C1)N2.
What is the InChIKey of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(2-methoxyethylamino)-2-oxoethyl]-N-methylacetamide?
The InChIKey is BRSMFQDWKYQWEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O3/c1-18(10-14(19)16-5-6-21-2)15(20)9-11-7-12-3-4-13(8-11)17-12/h11-13,17H,3-10H2,1-2H3,(H,16,19).
What are the key properties of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(2-methoxyethylamino)-2-oxoethyl]-N-methylacetamide?
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(2-methoxyethylamino)-2-oxoethyl]-N-methylacetamide has a molecular weight of 297.40 g/mol, XLogP of 0.13, 7 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-[2-(2-methoxyethylamino)-2-oxoethyl]-N-methylacetamide is sourced from PubChem (CID 79610319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).