N-[3-[2-(2-oxoimidazolidin-1-yl)ethylamino]phenyl]acetamide

C13H18N4O2 — CID 28579397

IUPACN-[3-[2-(2-oxoimidazolidin-1-yl)ethylamino]phenyl]acetamide
SMILESCC(=O)Nc1cccc(NCCN2CCNC2=O)c1
InChIInChI=1S/C13H18N4O2/c1-10(18)16-12-4-2-3-11(9-12)14-5-7-17-8-6-15-13(17)19/h2-4,9,14H,5-8H2,1H3,(H,15,19)(H,16,18)
InChIKeyUULBUVUCPSZMLP-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.08
Rot. Bonds5

About N-[3-[2-(2-oxoimidazolidin-1-yl)ethylamino]phenyl]acetamide

N-[3-[2-(2-oxoimidazolidin-1-yl)ethylamino]phenyl]acetamide (PubChem CID 28579397) has the molecular formula C13H18N4O2 and a molecular weight of 262.31 g/mol. Its IUPAC name is N-[3-[2-(2-oxoimidazolidin-1-yl)ethylamino]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[2-(2-oxoimidazolidin-1-yl)ethylamino]phenyl]acetamide
PubChem CID28579397
Molecular FormulaC13H18N4O2
Molecular Weight262.31 g/mol
Exact Mass262.14
IUPAC NameN-[3-[2-(2-oxoimidazolidin-1-yl)ethylamino]phenyl]acetamide
SMILESCC(=O)Nc1cccc(NCCN2CCNC2=O)c1
InChIInChI=1S/C13H18N4O2/c1-10(18)16-12-4-2-3-11(9-12)14-5-7-17-8-6-15-13(17)19/h2-4,9,14H,5-8H2,1H3,(H,15,19)(H,16,18)
InChIKeyUULBUVUCPSZMLP-UHFFFAOYSA-N
XLogP1.08
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(2-oxoimidazolidin-1-yl)ethylamino]phenyl]acetamide?
The IUPAC name of N-[3-[2-(2-oxoimidazolidin-1-yl)ethylamino]phenyl]acetamide (CID 28579397) is N-[3-[2-(2-oxoimidazolidin-1-yl)ethylamino]phenyl]acetamide.
What is the SMILES notation for N-[3-[2-(2-oxoimidazolidin-1-yl)ethylamino]phenyl]acetamide?
The canonical SMILES for N-[3-[2-(2-oxoimidazolidin-1-yl)ethylamino]phenyl]acetamide is CC(=O)Nc1cccc(NCCN2CCNC2=O)c1.
What is the InChIKey of N-[3-[2-(2-oxoimidazolidin-1-yl)ethylamino]phenyl]acetamide?
The InChIKey is UULBUVUCPSZMLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2/c1-10(18)16-12-4-2-3-11(9-12)14-5-7-17-8-6-15-13(17)19/h2-4,9,14H,5-8H2,1H3,(H,15,19)(H,16,18).
What are the key properties of N-[3-[2-(2-oxoimidazolidin-1-yl)ethylamino]phenyl]acetamide?
N-[3-[2-(2-oxoimidazolidin-1-yl)ethylamino]phenyl]acetamide has a molecular weight of 262.31 g/mol, XLogP of 1.08, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(2-oxoimidazolidin-1-yl)ethylamino]phenyl]acetamide is sourced from PubChem (CID 28579397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).