N-(2-aminophenyl)-2-(4-ethylpiperazin-1-yl)propanamide

C15H24N4O — CID 16787878

IUPACN-(2-aminophenyl)-2-(4-ethylpiperazin-1-yl)propanamide
SMILESCCN1CCN(C(C)C(=O)Nc2ccccc2N)CC1
InChIInChI=1S/C15H24N4O/c1-3-18-8-10-19(11-9-18)12(2)15(20)17-14-7-5-4-6-13(14)16/h4-7,12H,3,8-11,16H2,1-2H3,(H,17,20)
InChIKeyUYUQKXBYBGVHEJ-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.23
Rot. Bonds4

About N-(2-aminophenyl)-2-(4-ethylpiperazin-1-yl)propanamide

N-(2-aminophenyl)-2-(4-ethylpiperazin-1-yl)propanamide (PubChem CID 16787878) has the molecular formula C15H24N4O and a molecular weight of 276.38 g/mol. Its IUPAC name is N-(2-aminophenyl)-2-(4-ethylpiperazin-1-yl)propanamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-2-(4-ethylpiperazin-1-yl)propanamide
PubChem CID16787878
Molecular FormulaC15H24N4O
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC NameN-(2-aminophenyl)-2-(4-ethylpiperazin-1-yl)propanamide
SMILESCCN1CCN(C(C)C(=O)Nc2ccccc2N)CC1
InChIInChI=1S/C15H24N4O/c1-3-18-8-10-19(11-9-18)12(2)15(20)17-14-7-5-4-6-13(14)16/h4-7,12H,3,8-11,16H2,1-2H3,(H,17,20)
InChIKeyUYUQKXBYBGVHEJ-UHFFFAOYSA-N
XLogP1.23
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(5-amino-2-fluorophenyl)-2-(4-ethylpiperazin-1-yl)propanamide
CID 16786188
N-[2-(difluoromethoxy)phenyl]-2-(4-ethylpiperazin-1-yl)propanamide
CID 86909784
N-(2-aminophenyl)-2-(3-hydroxypyrrolidin-1-yl)propanamide
CID 62942601
2-(4-ethylpiperazin-1-yl)-N-(1-phenylethyl)propanamide
CID 78787136
N-[4-(aminomethyl)phenyl]-2-(4-ethylpiperazin-1-yl)propanamide
CID 16789447
N-(2-aminophenyl)-2-ethylsulfinylpropanamide
CID 61303245
(2R)-N-(2-fluorophenyl)-2-[4-(2-phenylethyl)piperazin-1-yl]propanamide
CID 30724639
(2S)-2-[4-(furan-2-ylmethyl)piperazin-1-yl]-N-(2-methylsulfanylphenyl)propanamide
CID 31126851
N-(2-aminophenyl)-4-[2-(4-chloroanilino)-1-(4-ethylpiperazin-1-yl)-2-oxoethyl]benzamide
CID 24752952
N-(2-aminophenyl)-2-(2,2-dimethylpyrrolidin-1-yl)propanamide
CID 55162890
(2R)-2-(4-ethylpiperazin-1-yl)-N-(3-fluoro-4-methylphenyl)propanamide
CID 30623055
ethyl 4-[(2S)-1-oxo-1-(2-propan-2-ylanilino)propan-2-yl]piperazine-1-carboxylate
CID 9431131

Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-2-(4-ethylpiperazin-1-yl)propanamide?
The IUPAC name of N-(2-aminophenyl)-2-(4-ethylpiperazin-1-yl)propanamide (CID 16787878) is N-(2-aminophenyl)-2-(4-ethylpiperazin-1-yl)propanamide.
What is the SMILES notation for N-(2-aminophenyl)-2-(4-ethylpiperazin-1-yl)propanamide?
The canonical SMILES for N-(2-aminophenyl)-2-(4-ethylpiperazin-1-yl)propanamide is CCN1CCN(C(C)C(=O)Nc2ccccc2N)CC1.
What is the InChIKey of N-(2-aminophenyl)-2-(4-ethylpiperazin-1-yl)propanamide?
The InChIKey is UYUQKXBYBGVHEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O/c1-3-18-8-10-19(11-9-18)12(2)15(20)17-14-7-5-4-6-13(14)16/h4-7,12H,3,8-11,16H2,1-2H3,(H,17,20).
What are the key properties of N-(2-aminophenyl)-2-(4-ethylpiperazin-1-yl)propanamide?
N-(2-aminophenyl)-2-(4-ethylpiperazin-1-yl)propanamide has a molecular weight of 276.38 g/mol, XLogP of 1.23, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-2-(4-ethylpiperazin-1-yl)propanamide is sourced from PubChem (CID 16787878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).