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

C16H21N3O3 — CID 17435485

IUPAC2-[(2,5-dioxoimidazolidin-1-yl)methyl]-N-pentylbenzamide
SMILESCCCCCNC(=O)c1ccccc1CN1C(=O)CNC1=O
InChIInChI=1S/C16H21N3O3/c1-2-3-6-9-17-15(21)13-8-5-4-7-12(13)11-19-14(20)10-18-16(19)22/h4-5,7-8H,2-3,6,9-11H2,1H3,(H,17,21)(H,18,22)
InChIKeyXDNAAVNQUDASDW-UHFFFAOYSA-N
MW303.36 g/mol
LogP1.66
Rot. Bonds7

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

2-[(2,5-dioxoimidazolidin-1-yl)methyl]-N-pentylbenzamide (PubChem CID 17435485) has the molecular formula C16H21N3O3 and a molecular weight of 303.36 g/mol. Its IUPAC name is 2-[(2,5-dioxoimidazolidin-1-yl)methyl]-N-pentylbenzamide.

Molecular Properties

Compound Name2-[(2,5-dioxoimidazolidin-1-yl)methyl]-N-pentylbenzamide
PubChem CID17435485
Molecular FormulaC16H21N3O3
Molecular Weight303.36 g/mol
Exact Mass303.16
IUPAC Name2-[(2,5-dioxoimidazolidin-1-yl)methyl]-N-pentylbenzamide
SMILESCCCCCNC(=O)c1ccccc1CN1C(=O)CNC1=O
InChIInChI=1S/C16H21N3O3/c1-2-3-6-9-17-15(21)13-8-5-4-7-12(13)11-19-14(20)10-18-16(19)22/h4-5,7-8H,2-3,6,9-11H2,1H3,(H,17,21)(H,18,22)
InChIKeyXDNAAVNQUDASDW-UHFFFAOYSA-N
XLogP1.66
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

N-(2-acetamidoethyl)-2-[(2,5-dioxoimidazolidin-1-yl)methyl]benzamide
CID 35052429
2-[(2,5-dioxoimidazolidin-1-yl)methyl]-N'-(4-hexoxybenzoyl)benzohydrazide
CID 24596736
2-[(2,5-dioxoimidazolidin-1-yl)methyl]-N-[2-(thiophen-3-ylmethylsulfanyl)ethyl]benzamide
CID 24643529
2-(hydroxymethyl)-N-tetradecylbenzamide
CID 23299401
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-methylphenoxy)phenyl]benzamide
CID 17415387
(1-butyltetrazol-5-yl)methyl 2-[(2,5-dioxoimidazolidin-1-yl)methyl]benzoate
CID 30910565
[2-oxo-2-(pentan-2-ylamino)ethyl] 2-[(2,5-dioxoimidazolidin-1-yl)methyl]benzoate
CID 18141846
N-[1-(1-benzofuran-2-yl)ethyl]-2-[(2,5-dioxoimidazolidin-1-yl)methyl]benzamide
CID 18137199
4-[(2,5-dioxoimidazolidin-1-yl)methyl]-N-[(2-methylphenyl)methyl]benzamide
CID 17485480
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-[(2,5-dioxoimidazolidin-1-yl)methyl]benzamide
CID 18136815

Frequently Asked Questions

What is the IUPAC name of 2-[(2,5-dioxoimidazolidin-1-yl)methyl]-N-pentylbenzamide?
The IUPAC name of 2-[(2,5-dioxoimidazolidin-1-yl)methyl]-N-pentylbenzamide (CID 17435485) is 2-[(2,5-dioxoimidazolidin-1-yl)methyl]-N-pentylbenzamide.
What is the SMILES notation for 2-[(2,5-dioxoimidazolidin-1-yl)methyl]-N-pentylbenzamide?
The canonical SMILES for 2-[(2,5-dioxoimidazolidin-1-yl)methyl]-N-pentylbenzamide is CCCCCNC(=O)c1ccccc1CN1C(=O)CNC1=O.
What is the InChIKey of 2-[(2,5-dioxoimidazolidin-1-yl)methyl]-N-pentylbenzamide?
The InChIKey is XDNAAVNQUDASDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3/c1-2-3-6-9-17-15(21)13-8-5-4-7-12(13)11-19-14(20)10-18-16(19)22/h4-5,7-8H,2-3,6,9-11H2,1H3,(H,17,21)(H,18,22).
What are the key properties of 2-[(2,5-dioxoimidazolidin-1-yl)methyl]-N-pentylbenzamide?
2-[(2,5-dioxoimidazolidin-1-yl)methyl]-N-pentylbenzamide has a molecular weight of 303.36 g/mol, XLogP of 1.66, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,5-dioxoimidazolidin-1-yl)methyl]-N-pentylbenzamide is sourced from PubChem (CID 17435485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).