3-acetamido-3-(2-ethoxyphenyl)-N-(3-piperazin-1-ylpropyl)propanamide;hydrochloride

C20H33ClN4O3 — CID 119392017

IUPAC3-acetamido-3-(2-ethoxyphenyl)-N-(3-piperazin-1-ylpropyl)propanamide;hydrochloride
SMILESCCOc1ccccc1C(CC(=O)NCCCN1CCNCC1)NC(C)=O.Cl
InChIInChI=1S/C20H32N4O3.ClH/c1-3-27-19-8-5-4-7-17(19)18(23-16(2)25)15-20(26)22-9-6-12-24-13-10-21-11-14-24;/h4-5,7-8,18,21H,3,6,9-15H2,1-2H3,(H,22,26)(H,23,25);1H
InChIKeyMMZFGYRWUVTRKD-UHFFFAOYSA-N
MW412.96 g/mol
LogP1.49
Rot. Bonds10

About 3-acetamido-3-(2-ethoxyphenyl)-N-(3-piperazin-1-ylpropyl)propanamide;hydrochloride

3-acetamido-3-(2-ethoxyphenyl)-N-(3-piperazin-1-ylpropyl)propanamide;hydrochloride (PubChem CID 119392017) has the molecular formula C20H33ClN4O3 and a molecular weight of 412.96 g/mol. Its IUPAC name is 3-acetamido-3-(2-ethoxyphenyl)-N-(3-piperazin-1-ylpropyl)propanamide;hydrochloride.

Molecular Properties

Compound Name3-acetamido-3-(2-ethoxyphenyl)-N-(3-piperazin-1-ylpropyl)propanamide;hydrochloride
PubChem CID119392017
Molecular FormulaC20H33ClN4O3
Molecular Weight412.96 g/mol
Exact Mass412.22
IUPAC Name3-acetamido-3-(2-ethoxyphenyl)-N-(3-piperazin-1-ylpropyl)propanamide;hydrochloride
SMILESCCOc1ccccc1C(CC(=O)NCCCN1CCNCC1)NC(C)=O.Cl
InChIInChI=1S/C20H32N4O3.ClH/c1-3-27-19-8-5-4-7-17(19)18(23-16(2)25)15-20(26)22-9-6-12-24-13-10-21-11-14-24;/h4-5,7-8,18,21H,3,6,9-15H2,1-2H3,(H,22,26)(H,23,25);1H
InChIKeyMMZFGYRWUVTRKD-UHFFFAOYSA-N
XLogP1.49
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.96
LogP ≤ 51.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-acetamido-3-(2-ethoxyphenyl)-N-(2-piperazin-1-ylethyl)propanamide
CID 119446350
4-(2-ethoxyphenoxy)-N-(2-piperazin-1-ylethyl)butanamide;hydrochloride
CID 119449031
2-ethoxy-N-[4-oxo-4-(2-piperazin-1-ylethylamino)butyl]benzamide;hydrochloride
CID 119446636
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
3-phenyl-N-(3-piperazin-1-ylpropyl)pentanamide
CID 119394066
3-acetamido-N-[3-(azepan-1-yl)propyl]-3-phenylpropanamide
CID 78778209
3-acetamido-N-(2-amino-2-methylpropyl)-3-(2-ethoxyphenyl)propanamide
CID 119627423
2-(2-fluorophenoxy)-N-(3-piperazin-1-ylpropyl)acetamide;hydrochloride
CID 119392768
3-(2-methoxyphenyl)-N-(2-piperazin-1-ylethyl)butanamide
CID 119445732
3-acetamido-3-(2-ethoxyphenyl)-N-[2-(methylamino)propyl]propanamide
CID 120830987
3-[[3-acetamido-3-(2-ethoxyphenyl)propanoyl]amino]-2-methylpropanoic acid
CID 119237711
N-[(1R)-1-(2-ethoxyphenyl)-3-oxo-3-piperidin-1-ylpropyl]acetamide
CID 95282390

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-3-(2-ethoxyphenyl)-N-(3-piperazin-1-ylpropyl)propanamide;hydrochloride?
The IUPAC name of 3-acetamido-3-(2-ethoxyphenyl)-N-(3-piperazin-1-ylpropyl)propanamide;hydrochloride (CID 119392017) is 3-acetamido-3-(2-ethoxyphenyl)-N-(3-piperazin-1-ylpropyl)propanamide;hydrochloride.
What is the SMILES notation for 3-acetamido-3-(2-ethoxyphenyl)-N-(3-piperazin-1-ylpropyl)propanamide;hydrochloride?
The canonical SMILES for 3-acetamido-3-(2-ethoxyphenyl)-N-(3-piperazin-1-ylpropyl)propanamide;hydrochloride is CCOc1ccccc1C(CC(=O)NCCCN1CCNCC1)NC(C)=O.Cl.
What is the InChIKey of 3-acetamido-3-(2-ethoxyphenyl)-N-(3-piperazin-1-ylpropyl)propanamide;hydrochloride?
The InChIKey is MMZFGYRWUVTRKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N4O3.ClH/c1-3-27-19-8-5-4-7-17(19)18(23-16(2)25)15-20(26)22-9-6-12-24-13-10-21-11-14-24;/h4-5,7-8,18,21H,3,6,9-15H2,1-2H3,(H,22,26)(H,23,25);1H.
What are the key properties of 3-acetamido-3-(2-ethoxyphenyl)-N-(3-piperazin-1-ylpropyl)propanamide;hydrochloride?
3-acetamido-3-(2-ethoxyphenyl)-N-(3-piperazin-1-ylpropyl)propanamide;hydrochloride has a molecular weight of 412.96 g/mol, XLogP of 1.49, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-3-(2-ethoxyphenyl)-N-(3-piperazin-1-ylpropyl)propanamide;hydrochloride is sourced from PubChem (CID 119392017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).