N-[2-(ethylaminomethyl)phenyl]-2-(4-ethyl-2,3-dioxopiperazin-1-yl)acetamide

C17H24N4O3 — CID 119440254

IUPACN-[2-(ethylaminomethyl)phenyl]-2-(4-ethyl-2,3-dioxopiperazin-1-yl)acetamide
SMILESCCNCc1ccccc1NC(=O)CN1CCN(CC)C(=O)C1=O
InChIInChI=1S/C17H24N4O3/c1-3-18-11-13-7-5-6-8-14(13)19-15(22)12-21-10-9-20(4-2)16(23)17(21)24/h5-8,18H,3-4,9-12H2,1-2H3,(H,19,22)
InChIKeyFJAWKDNYKMMYIW-UHFFFAOYSA-N
MW332.40 g/mol
LogP0.43
Rot. Bonds7

About N-[2-(ethylaminomethyl)phenyl]-2-(4-ethyl-2,3-dioxopiperazin-1-yl)acetamide

N-[2-(ethylaminomethyl)phenyl]-2-(4-ethyl-2,3-dioxopiperazin-1-yl)acetamide (PubChem CID 119440254) has the molecular formula C17H24N4O3 and a molecular weight of 332.40 g/mol. Its IUPAC name is N-[2-(ethylaminomethyl)phenyl]-2-(4-ethyl-2,3-dioxopiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-[2-(ethylaminomethyl)phenyl]-2-(4-ethyl-2,3-dioxopiperazin-1-yl)acetamide
PubChem CID119440254
Molecular FormulaC17H24N4O3
Molecular Weight332.40 g/mol
Exact Mass332.18
IUPAC NameN-[2-(ethylaminomethyl)phenyl]-2-(4-ethyl-2,3-dioxopiperazin-1-yl)acetamide
SMILESCCNCc1ccccc1NC(=O)CN1CCN(CC)C(=O)C1=O
InChIInChI=1S/C17H24N4O3/c1-3-18-11-13-7-5-6-8-14(13)19-15(22)12-21-10-9-20(4-2)16(23)17(21)24/h5-8,18H,3-4,9-12H2,1-2H3,(H,19,22)
InChIKeyFJAWKDNYKMMYIW-UHFFFAOYSA-N
XLogP0.43
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(4-ethyl-2,3-dioxopiperazin-1-yl)-N-(2-fluorophenyl)acetamide
CID 7190160
N-[(2-chlorophenyl)methyl]-2-(4-ethyl-2,3-dioxopiperazin-1-yl)acetamide
CID 7190221
N-(6-amino-1,3-benzodioxol-5-yl)-2-(4-ethyl-2,3-dioxopiperazin-1-yl)acetamide;hydrochloride
CID 119618728
N-(4-chlorophenyl)-2-(4-ethyl-2,3-dioxopiperazin-1-yl)acetamide
CID 7190167
2-cyclopentyl-N-[2-(ethylaminomethyl)phenyl]acetamide
CID 60776430
2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-[2-(ethylaminomethyl)phenyl]acetamide
CID 119438955
N-[2-(ethylaminomethyl)phenyl]pentanamide;hydrochloride
CID 119438958
2-ethoxy-N-[2-(ethylaminomethyl)phenyl]acetamide
CID 43601366
N-[2-(ethylaminomethyl)phenyl]-5,5-dimethylhexanamide
CID 119440882
4-[(4-ethyl-2,3-dioxopiperazin-1-yl)methyl]-N-(2-ethylphenyl)benzamide
CID 53135720
4-acetyl-N-[2-(ethylaminomethyl)phenyl]benzamide;hydrochloride
CID 86779920
N-[2-(ethylaminomethyl)phenyl]nonanamide
CID 65425982

Frequently Asked Questions

What is the IUPAC name of N-[2-(ethylaminomethyl)phenyl]-2-(4-ethyl-2,3-dioxopiperazin-1-yl)acetamide?
The IUPAC name of N-[2-(ethylaminomethyl)phenyl]-2-(4-ethyl-2,3-dioxopiperazin-1-yl)acetamide (CID 119440254) is N-[2-(ethylaminomethyl)phenyl]-2-(4-ethyl-2,3-dioxopiperazin-1-yl)acetamide.
What is the SMILES notation for N-[2-(ethylaminomethyl)phenyl]-2-(4-ethyl-2,3-dioxopiperazin-1-yl)acetamide?
The canonical SMILES for N-[2-(ethylaminomethyl)phenyl]-2-(4-ethyl-2,3-dioxopiperazin-1-yl)acetamide is CCNCc1ccccc1NC(=O)CN1CCN(CC)C(=O)C1=O.
What is the InChIKey of N-[2-(ethylaminomethyl)phenyl]-2-(4-ethyl-2,3-dioxopiperazin-1-yl)acetamide?
The InChIKey is FJAWKDNYKMMYIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O3/c1-3-18-11-13-7-5-6-8-14(13)19-15(22)12-21-10-9-20(4-2)16(23)17(21)24/h5-8,18H,3-4,9-12H2,1-2H3,(H,19,22).
What are the key properties of N-[2-(ethylaminomethyl)phenyl]-2-(4-ethyl-2,3-dioxopiperazin-1-yl)acetamide?
N-[2-(ethylaminomethyl)phenyl]-2-(4-ethyl-2,3-dioxopiperazin-1-yl)acetamide has a molecular weight of 332.40 g/mol, XLogP of 0.43, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(ethylaminomethyl)phenyl]-2-(4-ethyl-2,3-dioxopiperazin-1-yl)acetamide is sourced from PubChem (CID 119440254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).