3-acetamido-3-(2-ethoxyphenyl)-N-(2-piperazin-1-ylethyl)propanamide

C19H30N4O3 — CID 119446350

IUPAC3-acetamido-3-(2-ethoxyphenyl)-N-(2-piperazin-1-ylethyl)propanamide
SMILESCCOc1ccccc1C(CC(=O)NCCN1CCNCC1)NC(C)=O
InChIInChI=1S/C19H30N4O3/c1-3-26-18-7-5-4-6-16(18)17(22-15(2)24)14-19(25)21-10-13-23-11-8-20-9-12-23/h4-7,17,20H,3,8-14H2,1-2H3,(H,21,25)(H,22,24)
InChIKeyVZPJANXRHYEPFH-UHFFFAOYSA-N
MW362.47 g/mol
LogP0.67
Rot. Bonds9

About 3-acetamido-3-(2-ethoxyphenyl)-N-(2-piperazin-1-ylethyl)propanamide

3-acetamido-3-(2-ethoxyphenyl)-N-(2-piperazin-1-ylethyl)propanamide (PubChem CID 119446350) has the molecular formula C19H30N4O3 and a molecular weight of 362.47 g/mol. Its IUPAC name is 3-acetamido-3-(2-ethoxyphenyl)-N-(2-piperazin-1-ylethyl)propanamide.

Molecular Properties

Compound Name3-acetamido-3-(2-ethoxyphenyl)-N-(2-piperazin-1-ylethyl)propanamide
PubChem CID119446350
Molecular FormulaC19H30N4O3
Molecular Weight362.47 g/mol
Exact Mass362.23
IUPAC Name3-acetamido-3-(2-ethoxyphenyl)-N-(2-piperazin-1-ylethyl)propanamide
SMILESCCOc1ccccc1C(CC(=O)NCCN1CCNCC1)NC(C)=O
InChIInChI=1S/C19H30N4O3/c1-3-26-18-7-5-4-6-16(18)17(22-15(2)24)14-19(25)21-10-13-23-11-8-20-9-12-23/h4-7,17,20H,3,8-14H2,1-2H3,(H,21,25)(H,22,24)
InChIKeyVZPJANXRHYEPFH-UHFFFAOYSA-N
XLogP0.67
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.47
LogP ≤ 50.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-acetamido-3-(2-ethoxyphenyl)-N-(3-piperazin-1-ylpropyl)propanamide;hydrochloride
CID 119392017
3-(2-methoxyphenyl)-N-(2-piperazin-1-ylethyl)butanamide
CID 119445732
4-(2-ethoxyphenoxy)-N-(2-piperazin-1-ylethyl)butanamide;hydrochloride
CID 119449031
3-acetamido-N-(2-amino-2-methylpropyl)-3-(2-ethoxyphenyl)propanamide
CID 119627423
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
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-[[3-acetamido-3-(2-ethoxyphenyl)propanoyl]amino]-2,2-dimethylpropanoic acid
CID 119250389
4-(2-methoxyphenyl)-3-methyl-N-(2-piperazin-1-ylethyl)butanamide;hydrochloride
CID 119445159
3-acetamido-N-(8-azabicyclo[3.2.1]octan-3-yl)-3-(2-ethoxyphenyl)propanamide
CID 119456660
(3R)-3-(2-chlorophenyl)-3-phenyl-N-(2-piperazin-1-ylethyl)propanamide
CID 97283785

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-3-(2-ethoxyphenyl)-N-(2-piperazin-1-ylethyl)propanamide?
The IUPAC name of 3-acetamido-3-(2-ethoxyphenyl)-N-(2-piperazin-1-ylethyl)propanamide (CID 119446350) is 3-acetamido-3-(2-ethoxyphenyl)-N-(2-piperazin-1-ylethyl)propanamide.
What is the SMILES notation for 3-acetamido-3-(2-ethoxyphenyl)-N-(2-piperazin-1-ylethyl)propanamide?
The canonical SMILES for 3-acetamido-3-(2-ethoxyphenyl)-N-(2-piperazin-1-ylethyl)propanamide is CCOc1ccccc1C(CC(=O)NCCN1CCNCC1)NC(C)=O.
What is the InChIKey of 3-acetamido-3-(2-ethoxyphenyl)-N-(2-piperazin-1-ylethyl)propanamide?
The InChIKey is VZPJANXRHYEPFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O3/c1-3-26-18-7-5-4-6-16(18)17(22-15(2)24)14-19(25)21-10-13-23-11-8-20-9-12-23/h4-7,17,20H,3,8-14H2,1-2H3,(H,21,25)(H,22,24).
What are the key properties of 3-acetamido-3-(2-ethoxyphenyl)-N-(2-piperazin-1-ylethyl)propanamide?
3-acetamido-3-(2-ethoxyphenyl)-N-(2-piperazin-1-ylethyl)propanamide has a molecular weight of 362.47 g/mol, XLogP of 0.67, 9 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-(2-piperazin-1-ylethyl)propanamide is sourced from PubChem (CID 119446350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).