N-(2-ethoxyphenyl)-3-(4-ethylpiperazin-1-yl)propanamide

C17H27N3O2 — CID 109017715

IUPACN-(2-ethoxyphenyl)-3-(4-ethylpiperazin-1-yl)propanamide
SMILESCCOc1ccccc1NC(=O)CCN1CCN(CC)CC1
InChIInChI=1S/C17H27N3O2/c1-3-19-11-13-20(14-12-19)10-9-17(21)18-15-7-5-6-8-16(15)22-4-2/h5-8H,3-4,9-14H2,1-2H3,(H,18,21)
InChIKeyWNXZJRAACIPAMG-UHFFFAOYSA-N
MW305.42 g/mol
LogP2.05
Rot. Bonds7

About N-(2-ethoxyphenyl)-3-(4-ethylpiperazin-1-yl)propanamide

N-(2-ethoxyphenyl)-3-(4-ethylpiperazin-1-yl)propanamide (PubChem CID 109017715) has the molecular formula C17H27N3O2 and a molecular weight of 305.42 g/mol. Its IUPAC name is N-(2-ethoxyphenyl)-3-(4-ethylpiperazin-1-yl)propanamide.

Molecular Properties

Compound NameN-(2-ethoxyphenyl)-3-(4-ethylpiperazin-1-yl)propanamide
PubChem CID109017715
Molecular FormulaC17H27N3O2
Molecular Weight305.42 g/mol
Exact Mass305.21
IUPAC NameN-(2-ethoxyphenyl)-3-(4-ethylpiperazin-1-yl)propanamide
SMILESCCOc1ccccc1NC(=O)CCN1CCN(CC)CC1
InChIInChI=1S/C17H27N3O2/c1-3-19-11-13-20(14-12-19)10-9-17(21)18-15-7-5-6-8-16(15)22-4-2/h5-8H,3-4,9-14H2,1-2H3,(H,18,21)
InChIKeyWNXZJRAACIPAMG-UHFFFAOYSA-N
XLogP2.05
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-ethoxyphenyl)-2-(4-ethylpiperazin-1-yl)acetamide
CID 6469217
N-(2-ethoxyphenyl)-3-[4-(1H-pyrrole-2-carbonyl)piperazin-1-yl]propanamide
CID 91835997
N-(2-ethoxyphenyl)-2-[4-(2-phenylethyl)piperazin-1-yl]acetamide
CID 34942442
3-amino-N-(2-ethoxyphenyl)propanamide;hydrochloride
CID 119263917
N-(2-chlorophenyl)-3-[4-(2-ethoxyphenoxy)piperidin-1-yl]propanamide
CID 47532727
4-(2-ethoxyphenoxy)-N-(2-ethoxyphenyl)butanamide
CID 7935064
(2S)-N-(2-ethoxyphenyl)-2-(4-ethylpiperazin-1-yl)-2-phenylacetamide
CID 7928314
N-(2-ethoxyphenyl)octanamide
CID 4158866
N-(2-ethoxyphenyl)-3-phenylpropanamide
CID 849126
3-[(1R,2R,6R,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]-N-(2-ethoxyphenyl)propanamide
CID 98613012
N-(2-ethoxyphenyl)-2-[4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]acetamide
CID 90533896
CID 174193763
CID 174193763

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyphenyl)-3-(4-ethylpiperazin-1-yl)propanamide?
The IUPAC name of N-(2-ethoxyphenyl)-3-(4-ethylpiperazin-1-yl)propanamide (CID 109017715) is N-(2-ethoxyphenyl)-3-(4-ethylpiperazin-1-yl)propanamide.
What is the SMILES notation for N-(2-ethoxyphenyl)-3-(4-ethylpiperazin-1-yl)propanamide?
The canonical SMILES for N-(2-ethoxyphenyl)-3-(4-ethylpiperazin-1-yl)propanamide is CCOc1ccccc1NC(=O)CCN1CCN(CC)CC1.
What is the InChIKey of N-(2-ethoxyphenyl)-3-(4-ethylpiperazin-1-yl)propanamide?
The InChIKey is WNXZJRAACIPAMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O2/c1-3-19-11-13-20(14-12-19)10-9-17(21)18-15-7-5-6-8-16(15)22-4-2/h5-8H,3-4,9-14H2,1-2H3,(H,18,21).
What are the key properties of N-(2-ethoxyphenyl)-3-(4-ethylpiperazin-1-yl)propanamide?
N-(2-ethoxyphenyl)-3-(4-ethylpiperazin-1-yl)propanamide has a molecular weight of 305.42 g/mol, XLogP of 2.05, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyphenyl)-3-(4-ethylpiperazin-1-yl)propanamide is sourced from PubChem (CID 109017715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).