N-(2-aminoethyl)-2-[4-(2,5-dioxopyrrol-1-yl)phenyl]acetamide

C14H15N3O3 — CID 155262994

IUPACN-(2-aminoethyl)-2-[4-(2,5-dioxopyrrol-1-yl)phenyl]acetamide
SMILESNCCNC(=O)Cc1ccc(N2C(=O)C=CC2=O)cc1
InChIInChI=1S/C14H15N3O3/c15-7-8-16-12(18)9-10-1-3-11(4-2-10)17-13(19)5-6-14(17)20/h1-6H,7-9,15H2,(H,16,18)
InChIKeyORRKMVWWIZZDJF-UHFFFAOYSA-N
MW273.29 g/mol
LogP-0.27
Rot. Bonds5

About N-(2-aminoethyl)-2-[4-(2,5-dioxopyrrol-1-yl)phenyl]acetamide

N-(2-aminoethyl)-2-[4-(2,5-dioxopyrrol-1-yl)phenyl]acetamide (PubChem CID 155262994) has the molecular formula C14H15N3O3 and a molecular weight of 273.29 g/mol. Its IUPAC name is N-(2-aminoethyl)-2-[4-(2,5-dioxopyrrol-1-yl)phenyl]acetamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-2-[4-(2,5-dioxopyrrol-1-yl)phenyl]acetamide
PubChem CID155262994
Molecular FormulaC14H15N3O3
Molecular Weight273.29 g/mol
Exact Mass273.11
IUPAC NameN-(2-aminoethyl)-2-[4-(2,5-dioxopyrrol-1-yl)phenyl]acetamide
SMILESNCCNC(=O)Cc1ccc(N2C(=O)C=CC2=O)cc1
InChIInChI=1S/C14H15N3O3/c15-7-8-16-12(18)9-10-1-3-11(4-2-10)17-13(19)5-6-14(17)20/h1-6H,7-9,15H2,(H,16,18)
InChIKeyORRKMVWWIZZDJF-UHFFFAOYSA-N
XLogP-0.27
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 5-0.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-aminoethyl)-2-(4-aminophenyl)acetamide
CID 55032139
prop-2-enyl 2-[4-(2,5-dioxopyrrol-1-yl)phenyl]acetate
CID 46949350
N-(2-bromoethyl)-4-(2,5-dioxopyrrol-1-yl)benzamide
CID 118474719
N-(2-aminoethyl)-3-(2,5-dioxopyrrol-1-yl)propanamide
CID 51341002
CID 123560915
CID 123560915
2-[4-(1,3-dioxoisoindol-2-yl)phenyl]-N-(2-phenylethyl)acetamide
CID 110343488
N-(2-aminoethyl)-2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide
CID 82496271
(2,5-dioxopyrrolidin-1-yl) 2-[4-(2,5-dioxopyrrol-1-yl)phenyl]acetate
CID 13421299
3-amino-N-(2-aminoethyl)-3-(2,5-dioxopyrrol-1-yl)propanamide
CID 174479454
3-[3-[3-[4-(2,5-dioxopyrrol-1-yl)phenyl]propanoylamino]propoxy]propanoyl iodide
CID 157473862
N-(3-aminopropyl)-2-(4-chlorophenyl)acetamide;hydrochloride
CID 119408603
N-(2-aminoethyl)-2-(4-chloro-3-fluorophenyl)acetamide
CID 110832954

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-2-[4-(2,5-dioxopyrrol-1-yl)phenyl]acetamide?
The IUPAC name of N-(2-aminoethyl)-2-[4-(2,5-dioxopyrrol-1-yl)phenyl]acetamide (CID 155262994) is N-(2-aminoethyl)-2-[4-(2,5-dioxopyrrol-1-yl)phenyl]acetamide.
What is the SMILES notation for N-(2-aminoethyl)-2-[4-(2,5-dioxopyrrol-1-yl)phenyl]acetamide?
The canonical SMILES for N-(2-aminoethyl)-2-[4-(2,5-dioxopyrrol-1-yl)phenyl]acetamide is NCCNC(=O)Cc1ccc(N2C(=O)C=CC2=O)cc1.
What is the InChIKey of N-(2-aminoethyl)-2-[4-(2,5-dioxopyrrol-1-yl)phenyl]acetamide?
The InChIKey is ORRKMVWWIZZDJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3/c15-7-8-16-12(18)9-10-1-3-11(4-2-10)17-13(19)5-6-14(17)20/h1-6H,7-9,15H2,(H,16,18).
What are the key properties of N-(2-aminoethyl)-2-[4-(2,5-dioxopyrrol-1-yl)phenyl]acetamide?
N-(2-aminoethyl)-2-[4-(2,5-dioxopyrrol-1-yl)phenyl]acetamide has a molecular weight of 273.29 g/mol, XLogP of -0.27, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-2-[4-(2,5-dioxopyrrol-1-yl)phenyl]acetamide is sourced from PubChem (CID 155262994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).