3-acetamido-N-(8-azabicyclo[3.2.1]octan-3-yl)-3-(2-ethoxyphenyl)propanamide

C20H29N3O3 — CID 119456660

IUPAC3-acetamido-N-(8-azabicyclo[3.2.1]octan-3-yl)-3-(2-ethoxyphenyl)propanamide
SMILESCCOc1ccccc1C(CC(=O)NC1CC2CCC(C1)N2)NC(C)=O
InChIInChI=1S/C20H29N3O3/c1-3-26-19-7-5-4-6-17(19)18(21-13(2)24)12-20(25)23-16-10-14-8-9-15(11-16)22-14/h4-7,14-16,18,22H,3,8-12H2,1-2H3,(H,21,24)(H,23,25)
InChIKeyHDENDSUXZVDWFB-UHFFFAOYSA-N
MW359.47 g/mol
LogP2.05
Rot. Bonds7

About 3-acetamido-N-(8-azabicyclo[3.2.1]octan-3-yl)-3-(2-ethoxyphenyl)propanamide

3-acetamido-N-(8-azabicyclo[3.2.1]octan-3-yl)-3-(2-ethoxyphenyl)propanamide (PubChem CID 119456660) has the molecular formula C20H29N3O3 and a molecular weight of 359.47 g/mol. Its IUPAC name is 3-acetamido-N-(8-azabicyclo[3.2.1]octan-3-yl)-3-(2-ethoxyphenyl)propanamide.

Molecular Properties

Compound Name3-acetamido-N-(8-azabicyclo[3.2.1]octan-3-yl)-3-(2-ethoxyphenyl)propanamide
PubChem CID119456660
Molecular FormulaC20H29N3O3
Molecular Weight359.47 g/mol
Exact Mass359.22
IUPAC Name3-acetamido-N-(8-azabicyclo[3.2.1]octan-3-yl)-3-(2-ethoxyphenyl)propanamide
SMILESCCOc1ccccc1C(CC(=O)NC1CC2CCC(C1)N2)NC(C)=O
InChIInChI=1S/C20H29N3O3/c1-3-26-19-7-5-4-6-17(19)18(21-13(2)24)12-20(25)23-16-10-14-8-9-15(11-16)22-14/h4-7,14-16,18,22H,3,8-12H2,1-2H3,(H,21,24)(H,23,25)
InChIKeyHDENDSUXZVDWFB-UHFFFAOYSA-N
XLogP2.05
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 52.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 3-acetamido-N-(8-azabicyclo[3.2.1]octan-3-yl)-3-(2-ethoxyphenyl)propanamide 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

N-(8-azabicyclo[3.2.1]octan-3-yl)-4-(2-ethoxyphenoxy)butanamide
CID 119459385
N-[1-(2-ethoxyphenyl)-3-[3-(methylamino)piperidin-1-yl]-3-oxopropyl]acetamide
CID 119489700
3-acetamido-N-(2-amino-2-methylpropyl)-3-(2-ethoxyphenyl)propanamide
CID 119627423
N-[(1R)-1-(2-ethoxyphenyl)-3-oxo-3-piperidin-1-ylpropyl]acetamide
CID 95282390
3-[[3-acetamido-3-(2-ethoxyphenyl)propanoyl]amino]-2-methylpropanoic acid
CID 119237711
N-(8-azabicyclo[3.2.1]octan-3-yl)-3-(2-fluorophenyl)butanamide;hydrochloride
CID 119459616
3-acetamido-N-(1-aminopropan-2-yl)-3-(2-ethoxyphenyl)-N-methylpropanamide
CID 119582642
3-acetamido-3-(2-ethoxyphenyl)-N-[2-(methylamino)propyl]propanamide
CID 120830987
3-acetamido-N-[1-(aminomethyl)cyclopentyl]-3-(2-ethoxyphenyl)propanamide
CID 119566114
N-[3-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-1-(2-ethoxyphenyl)-3-oxopropyl]acetamide;hydrochloride
CID 120659450
N-[3-(8-azabicyclo[3.2.1]octan-3-ylamino)-3-oxo-1-phenylpropyl]-4-methylbenzamide;hydrochloride
CID 119459009
3-[[3-acetamido-3-(2-ethoxyphenyl)propanoyl]amino]-2,2-dimethylpropanoic acid
CID 119250389

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-N-(8-azabicyclo[3.2.1]octan-3-yl)-3-(2-ethoxyphenyl)propanamide?
The IUPAC name of 3-acetamido-N-(8-azabicyclo[3.2.1]octan-3-yl)-3-(2-ethoxyphenyl)propanamide (CID 119456660) is 3-acetamido-N-(8-azabicyclo[3.2.1]octan-3-yl)-3-(2-ethoxyphenyl)propanamide.
What is the SMILES notation for 3-acetamido-N-(8-azabicyclo[3.2.1]octan-3-yl)-3-(2-ethoxyphenyl)propanamide?
The canonical SMILES for 3-acetamido-N-(8-azabicyclo[3.2.1]octan-3-yl)-3-(2-ethoxyphenyl)propanamide is CCOc1ccccc1C(CC(=O)NC1CC2CCC(C1)N2)NC(C)=O.
What is the InChIKey of 3-acetamido-N-(8-azabicyclo[3.2.1]octan-3-yl)-3-(2-ethoxyphenyl)propanamide?
The InChIKey is HDENDSUXZVDWFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O3/c1-3-26-19-7-5-4-6-17(19)18(21-13(2)24)12-20(25)23-16-10-14-8-9-15(11-16)22-14/h4-7,14-16,18,22H,3,8-12H2,1-2H3,(H,21,24)(H,23,25).
What are the key properties of 3-acetamido-N-(8-azabicyclo[3.2.1]octan-3-yl)-3-(2-ethoxyphenyl)propanamide?
3-acetamido-N-(8-azabicyclo[3.2.1]octan-3-yl)-3-(2-ethoxyphenyl)propanamide has a molecular weight of 359.47 g/mol, XLogP of 2.05, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-N-(8-azabicyclo[3.2.1]octan-3-yl)-3-(2-ethoxyphenyl)propanamide is sourced from PubChem (CID 119456660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).