N-(2-acetamidoethyl)-2-[(2,5-dioxoimidazolidin-1-yl)methyl]benzamide

C15H18N4O4 — CID 35052429

IUPACN-(2-acetamidoethyl)-2-[(2,5-dioxoimidazolidin-1-yl)methyl]benzamide
SMILESCC(=O)NCCNC(=O)c1ccccc1CN1C(=O)CNC1=O
InChIInChI=1S/C15H18N4O4/c1-10(20)16-6-7-17-14(22)12-5-3-2-4-11(12)9-19-13(21)8-18-15(19)23/h2-5H,6-9H2,1H3,(H,16,20)(H,17,22)(H,18,23)
InChIKeySGSLKHLWNTWGTE-UHFFFAOYSA-N
MW318.33 g/mol
LogP-0.40
Rot. Bonds6

About N-(2-acetamidoethyl)-2-[(2,5-dioxoimidazolidin-1-yl)methyl]benzamide

N-(2-acetamidoethyl)-2-[(2,5-dioxoimidazolidin-1-yl)methyl]benzamide (PubChem CID 35052429) has the molecular formula C15H18N4O4 and a molecular weight of 318.33 g/mol. Its IUPAC name is N-(2-acetamidoethyl)-2-[(2,5-dioxoimidazolidin-1-yl)methyl]benzamide.

Molecular Properties

Compound NameN-(2-acetamidoethyl)-2-[(2,5-dioxoimidazolidin-1-yl)methyl]benzamide
PubChem CID35052429
Molecular FormulaC15H18N4O4
Molecular Weight318.33 g/mol
Exact Mass318.13
IUPAC NameN-(2-acetamidoethyl)-2-[(2,5-dioxoimidazolidin-1-yl)methyl]benzamide
SMILESCC(=O)NCCNC(=O)c1ccccc1CN1C(=O)CNC1=O
InChIInChI=1S/C15H18N4O4/c1-10(20)16-6-7-17-14(22)12-5-3-2-4-11(12)9-19-13(21)8-18-15(19)23/h2-5H,6-9H2,1H3,(H,16,20)(H,17,22)(H,18,23)
InChIKeySGSLKHLWNTWGTE-UHFFFAOYSA-N
XLogP-0.40
TPSA107.61 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.33
LogP ≤ 5-0.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(2,5-dioxoimidazolidin-1-yl)methyl]-N-pentylbenzamide
CID 17435485
2-[(2,5-dioxoimidazolidin-1-yl)methyl]-N-[2-(3-methylphenoxy)ethyl]benzamide
CID 18137040
2-[(2,5-dioxoimidazolidin-1-yl)methyl]-N-[2-(thiophen-3-ylmethylsulfanyl)ethyl]benzamide
CID 24643529
2-[(2,5-dioxoimidazolidin-1-yl)methyl]-N-(5-fluoro-2-methylphenyl)benzamide
CID 17456860
N-(1H-benzimidazol-2-ylmethyl)-2-[(2,5-dioxoimidazolidin-1-yl)methyl]benzamide
CID 18135800
2-[(2,5-dioxoimidazolidin-1-yl)methyl]-N-methyl-N-[(4-methylphenyl)methyl]benzamide
CID 18168732
2-[(2,5-dioxoimidazolidin-1-yl)methyl]-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]benzamide
CID 56555313
2-[(2,5-dioxoimidazolidin-1-yl)methyl]-N-[4-(4-methylphenoxy)phenyl]benzamide
CID 17415387
3-[[2-(pyrrolidine-1-carbonyl)phenyl]methyl]imidazolidine-2,4-dione
CID 18135535
2-[(2,5-dioxoimidazolidin-1-yl)methyl]-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide
CID 42893512
2-[(2,5-dioxoimidazolidin-1-yl)methyl]-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]benzamide
CID 24642395
2-[(2,5-dioxoimidazolidin-1-yl)methyl]-N-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]benzamide
CID 51648008

Frequently Asked Questions

What is the IUPAC name of N-(2-acetamidoethyl)-2-[(2,5-dioxoimidazolidin-1-yl)methyl]benzamide?
The IUPAC name of N-(2-acetamidoethyl)-2-[(2,5-dioxoimidazolidin-1-yl)methyl]benzamide (CID 35052429) is N-(2-acetamidoethyl)-2-[(2,5-dioxoimidazolidin-1-yl)methyl]benzamide.
What is the SMILES notation for N-(2-acetamidoethyl)-2-[(2,5-dioxoimidazolidin-1-yl)methyl]benzamide?
The canonical SMILES for N-(2-acetamidoethyl)-2-[(2,5-dioxoimidazolidin-1-yl)methyl]benzamide is CC(=O)NCCNC(=O)c1ccccc1CN1C(=O)CNC1=O.
What is the InChIKey of N-(2-acetamidoethyl)-2-[(2,5-dioxoimidazolidin-1-yl)methyl]benzamide?
The InChIKey is SGSLKHLWNTWGTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O4/c1-10(20)16-6-7-17-14(22)12-5-3-2-4-11(12)9-19-13(21)8-18-15(19)23/h2-5H,6-9H2,1H3,(H,16,20)(H,17,22)(H,18,23).
What are the key properties of N-(2-acetamidoethyl)-2-[(2,5-dioxoimidazolidin-1-yl)methyl]benzamide?
N-(2-acetamidoethyl)-2-[(2,5-dioxoimidazolidin-1-yl)methyl]benzamide has a molecular weight of 318.33 g/mol, XLogP of -0.40, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-acetamidoethyl)-2-[(2,5-dioxoimidazolidin-1-yl)methyl]benzamide is sourced from PubChem (CID 35052429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).