3-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-N-(2-methoxyethyl)propanamide

C15H27N3O3 — CID 115738495

IUPAC3-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-N-(2-methoxyethyl)propanamide
SMILESCOCCNC(=O)CCNC(=O)CC1CC2CCC(C1)N2
InChIInChI=1S/C15H27N3O3/c1-21-7-6-17-14(19)4-5-16-15(20)10-11-8-12-2-3-13(9-11)18-12/h11-13,18H,2-10H2,1H3,(H,16,20)(H,17,19)
InChIKeyYTTXQEDPXZNXKF-UHFFFAOYSA-N
MW297.40 g/mol
LogP0.18
Rot. Bonds8

About 3-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-N-(2-methoxyethyl)propanamide

3-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-N-(2-methoxyethyl)propanamide (PubChem CID 115738495) has the molecular formula C15H27N3O3 and a molecular weight of 297.40 g/mol. Its IUPAC name is 3-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-N-(2-methoxyethyl)propanamide.

Molecular Properties

Compound Name3-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-N-(2-methoxyethyl)propanamide
PubChem CID115738495
Molecular FormulaC15H27N3O3
Molecular Weight297.40 g/mol
Exact Mass297.21
IUPAC Name3-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-N-(2-methoxyethyl)propanamide
SMILESCOCCNC(=O)CCNC(=O)CC1CC2CCC(C1)N2
InChIInChI=1S/C15H27N3O3/c1-21-7-6-17-14(19)4-5-16-15(20)10-11-8-12-2-3-13(9-11)18-12/h11-13,18H,2-10H2,1H3,(H,16,20)(H,17,19)
InChIKeyYTTXQEDPXZNXKF-UHFFFAOYSA-N
XLogP0.18
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 50.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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-[2-(2-methoxyethylamino)-2-oxoethyl]-N-methylacetamide
CID 79610319
3-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]propanamide
CID 79607251
3-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-N-butan-2-ylpropanamide
CID 79610533
3-[[2-(cyclopropylmethylamino)acetyl]amino]-N-(2-methoxyethyl)propanamide
CID 112701684
3-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-N-butan-2-ylpropanamide;hydrochloride
CID 119737591
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(3,5-dimethoxyphenoxy)ethyl]acetamide;hydrochloride
CID 119822623
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]acetamide
CID 79615251
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[1-(2-methoxyethyl)cyclobutyl]methyl]acetamide
CID 119820379
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(4-methoxybutan-2-yl)acetamide
CID 79615755
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)acetamide
CID 79610570
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(3-hydroxypropyl)acetamide
CID 79607673

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-N-(2-methoxyethyl)propanamide?
The IUPAC name of 3-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-N-(2-methoxyethyl)propanamide (CID 115738495) is 3-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-N-(2-methoxyethyl)propanamide.
What is the SMILES notation for 3-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-N-(2-methoxyethyl)propanamide?
The canonical SMILES for 3-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-N-(2-methoxyethyl)propanamide is COCCNC(=O)CCNC(=O)CC1CC2CCC(C1)N2.
What is the InChIKey of 3-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-N-(2-methoxyethyl)propanamide?
The InChIKey is YTTXQEDPXZNXKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O3/c1-21-7-6-17-14(19)4-5-16-15(20)10-11-8-12-2-3-13(9-11)18-12/h11-13,18H,2-10H2,1H3,(H,16,20)(H,17,19).
What are the key properties of 3-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-N-(2-methoxyethyl)propanamide?
3-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-N-(2-methoxyethyl)propanamide has a molecular weight of 297.40 g/mol, XLogP of 0.18, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-N-(2-methoxyethyl)propanamide is sourced from PubChem (CID 115738495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).