N-(3-aminophenyl)-2-(4-ethylpiperazin-1-yl)butanamide

C16H26N4O — CID 82224678

IUPACN-(3-aminophenyl)-2-(4-ethylpiperazin-1-yl)butanamide
SMILESCCC(C(=O)Nc1cccc(N)c1)N1CCN(CC)CC1
InChIInChI=1S/C16H26N4O/c1-3-15(20-10-8-19(4-2)9-11-20)16(21)18-14-7-5-6-13(17)12-14/h5-7,12,15H,3-4,8-11,17H2,1-2H3,(H,18,21)
InChIKeyZFTBYRKLEGNVSE-UHFFFAOYSA-N
MW290.41 g/mol
LogP1.62
Rot. Bonds5

About N-(3-aminophenyl)-2-(4-ethylpiperazin-1-yl)butanamide

N-(3-aminophenyl)-2-(4-ethylpiperazin-1-yl)butanamide (PubChem CID 82224678) has the molecular formula C16H26N4O and a molecular weight of 290.41 g/mol. Its IUPAC name is N-(3-aminophenyl)-2-(4-ethylpiperazin-1-yl)butanamide.

Molecular Properties

Compound NameN-(3-aminophenyl)-2-(4-ethylpiperazin-1-yl)butanamide
PubChem CID82224678
Molecular FormulaC16H26N4O
Molecular Weight290.41 g/mol
Exact Mass290.21
IUPAC NameN-(3-aminophenyl)-2-(4-ethylpiperazin-1-yl)butanamide
SMILESCCC(C(=O)Nc1cccc(N)c1)N1CCN(CC)CC1
InChIInChI=1S/C16H26N4O/c1-3-15(20-10-8-19(4-2)9-11-20)16(21)18-14-7-5-6-13(17)12-14/h5-7,12,15H,3-4,8-11,17H2,1-2H3,(H,18,21)
InChIKeyZFTBYRKLEGNVSE-UHFFFAOYSA-N
XLogP1.62
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 51.62
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-(3-aminophenyl)-2-(1,4-diazepan-1-yl)butanamide
CID 82224699
N-(3-aminophenyl)-2-(2-methylpiperidin-1-yl)butanamide
CID 82224680
(2S)-N-(3-aminophenyl)-2-methylbutanamide
CID 40788840
N-(3-aminophenyl)-2-(4-propan-2-ylpiperazin-1-yl)propanamide
CID 43584975
N-(3-aminophenyl)-2-[2-(2-hydroxyethyl)piperidin-1-yl]butanamide
CID 82224672
N-(3-aminophenyl)-2-piperidin-1-ylpropanamide
CID 16795783
N-(3-aminophenyl)-2-(1,1-dioxo-1,4-thiazinan-4-yl)propanamide
CID 43581148
N-(3-aminophenyl)-2-(4-propylpiperazin-1-yl)acetamide
CID 16781245
(2R)-N-(3-aminophenyl)-2-methylpentanamide
CID 40788841
(2S)-N-(3-aminophenyl)-2-methylpentanamide
CID 40788842
2-amino-N-(3-aminophenyl)propanamide
CID 110478892
(2R)-2-[4-[(2R)-1-(3-fluoroanilino)-1-oxopropan-2-yl]piperazin-1-yl]butanoic acid
CID 129401574

Frequently Asked Questions

What is the IUPAC name of N-(3-aminophenyl)-2-(4-ethylpiperazin-1-yl)butanamide?
The IUPAC name of N-(3-aminophenyl)-2-(4-ethylpiperazin-1-yl)butanamide (CID 82224678) is N-(3-aminophenyl)-2-(4-ethylpiperazin-1-yl)butanamide.
What is the SMILES notation for N-(3-aminophenyl)-2-(4-ethylpiperazin-1-yl)butanamide?
The canonical SMILES for N-(3-aminophenyl)-2-(4-ethylpiperazin-1-yl)butanamide is CCC(C(=O)Nc1cccc(N)c1)N1CCN(CC)CC1.
What is the InChIKey of N-(3-aminophenyl)-2-(4-ethylpiperazin-1-yl)butanamide?
The InChIKey is ZFTBYRKLEGNVSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O/c1-3-15(20-10-8-19(4-2)9-11-20)16(21)18-14-7-5-6-13(17)12-14/h5-7,12,15H,3-4,8-11,17H2,1-2H3,(H,18,21).
What are the key properties of N-(3-aminophenyl)-2-(4-ethylpiperazin-1-yl)butanamide?
N-(3-aminophenyl)-2-(4-ethylpiperazin-1-yl)butanamide has a molecular weight of 290.41 g/mol, XLogP of 1.62, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminophenyl)-2-(4-ethylpiperazin-1-yl)butanamide is sourced from PubChem (CID 82224678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).