3-acetamido-N-[2-(2,5-dioxoimidazolidin-4-yl)ethyl]benzamide

C14H16N4O4 — CID 110743570

IUPAC3-acetamido-N-[2-(2,5-dioxoimidazolidin-4-yl)ethyl]benzamide
SMILESCC(=O)Nc1cccc(C(=O)NCCC2NC(=O)NC2=O)c1
InChIInChI=1S/C14H16N4O4/c1-8(19)16-10-4-2-3-9(7-10)12(20)15-6-5-11-13(21)18-14(22)17-11/h2-4,7,11H,5-6H2,1H3,(H,15,20)(H,16,19)(H2,17,18,21,22)
InChIKeyIAYQLKRPSSMJHT-UHFFFAOYSA-N
MW304.31 g/mol
LogP-0.03
Rot. Bonds5

About 3-acetamido-N-[2-(2,5-dioxoimidazolidin-4-yl)ethyl]benzamide

3-acetamido-N-[2-(2,5-dioxoimidazolidin-4-yl)ethyl]benzamide (PubChem CID 110743570) has the molecular formula C14H16N4O4 and a molecular weight of 304.31 g/mol. Its IUPAC name is 3-acetamido-N-[2-(2,5-dioxoimidazolidin-4-yl)ethyl]benzamide.

Molecular Properties

Compound Name3-acetamido-N-[2-(2,5-dioxoimidazolidin-4-yl)ethyl]benzamide
PubChem CID110743570
Molecular FormulaC14H16N4O4
Molecular Weight304.31 g/mol
Exact Mass304.12
IUPAC Name3-acetamido-N-[2-(2,5-dioxoimidazolidin-4-yl)ethyl]benzamide
SMILESCC(=O)Nc1cccc(C(=O)NCCC2NC(=O)NC2=O)c1
InChIInChI=1S/C14H16N4O4/c1-8(19)16-10-4-2-3-9(7-10)12(20)15-6-5-11-13(21)18-14(22)17-11/h2-4,7,11H,5-6H2,1H3,(H,15,20)(H,16,19)(H2,17,18,21,22)
InChIKeyIAYQLKRPSSMJHT-UHFFFAOYSA-N
XLogP-0.03
TPSA116.40 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.31
LogP ≤ 5-0.03
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-acetamido-N-[2-(oxolan-2-yl)ethyl]benzamide
CID 110745062
3-acetamido-N-(3-aminopropyl)benzamide
CID 82335696
3-acetamido-N-ethylbenzamide
CID 17230670
3-acetamido-N-(3-methylbutyl)benzamide
CID 17458569
N-[2-[(3-acetamidobenzoyl)amino]ethyl]-3,4-dimethylbenzamide
CID 108541876
3-acetamido-N-(4-hydroxybutyl)benzamide
CID 106843063
N-(3-bromophenyl)-3-[(4S)-2,5-dioxoimidazolidin-4-yl]propanamide
CID 25465837
N-[2-(2,5-dioxoimidazolidin-4-yl)ethyl]thiophene-2-carboxamide
CID 110722106
3-N-(3-acetamidophenyl)-1-N-propylbenzene-1,3-dicarboxamide
CID 109050420
3-acetamido-N-[(2-fluorophenyl)methyl]benzamide
CID 8012881
6-[(3-acetamidobenzoyl)amino]hexanoic acid
CID 43170043
3-acetamido-N-[2-[(2-thiophen-2-ylacetyl)amino]ethyl]benzamide
CID 108541843

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-N-[2-(2,5-dioxoimidazolidin-4-yl)ethyl]benzamide?
The IUPAC name of 3-acetamido-N-[2-(2,5-dioxoimidazolidin-4-yl)ethyl]benzamide (CID 110743570) is 3-acetamido-N-[2-(2,5-dioxoimidazolidin-4-yl)ethyl]benzamide.
What is the SMILES notation for 3-acetamido-N-[2-(2,5-dioxoimidazolidin-4-yl)ethyl]benzamide?
The canonical SMILES for 3-acetamido-N-[2-(2,5-dioxoimidazolidin-4-yl)ethyl]benzamide is CC(=O)Nc1cccc(C(=O)NCCC2NC(=O)NC2=O)c1.
What is the InChIKey of 3-acetamido-N-[2-(2,5-dioxoimidazolidin-4-yl)ethyl]benzamide?
The InChIKey is IAYQLKRPSSMJHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O4/c1-8(19)16-10-4-2-3-9(7-10)12(20)15-6-5-11-13(21)18-14(22)17-11/h2-4,7,11H,5-6H2,1H3,(H,15,20)(H,16,19)(H2,17,18,21,22).
What are the key properties of 3-acetamido-N-[2-(2,5-dioxoimidazolidin-4-yl)ethyl]benzamide?
3-acetamido-N-[2-(2,5-dioxoimidazolidin-4-yl)ethyl]benzamide has a molecular weight of 304.31 g/mol, XLogP of -0.03, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-N-[2-(2,5-dioxoimidazolidin-4-yl)ethyl]benzamide is sourced from PubChem (CID 110743570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).