N,N-dimethyl-4-[[2-(2,4,5-trioxo-3-propylimidazolidin-1-yl)acetyl]amino]benzamide

C17H20N4O5 — CID 8626617

IUPACN,N-dimethyl-4-[[2-(2,4,5-trioxo-3-propylimidazolidin-1-yl)acetyl]amino]benzamide
SMILESCCCN1C(=O)C(=O)N(CC(=O)Nc2ccc(C(=O)N(C)C)cc2)C1=O
InChIInChI=1S/C17H20N4O5/c1-4-9-20-15(24)16(25)21(17(20)26)10-13(22)18-12-7-5-11(6-8-12)14(23)19(2)3/h5-8H,4,9-10H2,1-3H3,(H,18,22)
InChIKeyKIOQPBVSICLOIA-UHFFFAOYSA-N
MW360.37 g/mol
LogP0.53
Rot. Bonds6

About N,N-dimethyl-4-[[2-(2,4,5-trioxo-3-propylimidazolidin-1-yl)acetyl]amino]benzamide

N,N-dimethyl-4-[[2-(2,4,5-trioxo-3-propylimidazolidin-1-yl)acetyl]amino]benzamide (PubChem CID 8626617) has the molecular formula C17H20N4O5 and a molecular weight of 360.37 g/mol. Its IUPAC name is N,N-dimethyl-4-[[2-(2,4,5-trioxo-3-propylimidazolidin-1-yl)acetyl]amino]benzamide.

Molecular Properties

Compound NameN,N-dimethyl-4-[[2-(2,4,5-trioxo-3-propylimidazolidin-1-yl)acetyl]amino]benzamide
PubChem CID8626617
Molecular FormulaC17H20N4O5
Molecular Weight360.37 g/mol
Exact Mass360.14
IUPAC NameN,N-dimethyl-4-[[2-(2,4,5-trioxo-3-propylimidazolidin-1-yl)acetyl]amino]benzamide
SMILESCCCN1C(=O)C(=O)N(CC(=O)Nc2ccc(C(=O)N(C)C)cc2)C1=O
InChIInChI=1S/C17H20N4O5/c1-4-9-20-15(24)16(25)21(17(20)26)10-13(22)18-12-7-5-11(6-8-12)14(23)19(2)3/h5-8H,4,9-10H2,1-3H3,(H,18,22)
InChIKeyKIOQPBVSICLOIA-UHFFFAOYSA-N
XLogP0.53
TPSA107.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.37
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(4-fluorophenyl)-2-[[2-(2,4,5-trioxo-3-propylimidazolidin-1-yl)acetyl]amino]acetamide
CID 8626634
N-(4-phenyldiazenylphenyl)-2-(2,4,5-trioxo-3-propylimidazolidin-1-yl)acetamide
CID 8626264
N,N'-bis[4-(dimethylcarbamoyl)phenyl]propanediamide
CID 17368155
4-[[2-(butylamino)acetyl]amino]-N,N-dimethylbenzamide
CID 54815422
N,N-dimethyl-4-(octanoylamino)benzamide
CID 17231205
2-(3-butyl-2,4,5-trioxoimidazolidin-1-yl)-N-(4-phenoxyphenyl)acetamide
CID 4222608
2-(3-butyl-2,4,5-trioxoimidazolidin-1-yl)-N-[4-(difluoromethoxy)phenyl]acetamide
CID 2498787
N,N-dimethyl-4-[[2-[methyl-[2-oxo-2-(propylamino)ethyl]amino]acetyl]amino]benzamide
CID 9302751
N-[4-[2-(3-ethyl-2,4,5-trioxoimidazolidin-1-yl)acetyl]phenyl]hexanamide
CID 7824079
4-[[2-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetyl]amino]-N,N-dimethylbenzamide
CID 2582874
2-(3-butyl-2,4,5-trioxoimidazolidin-1-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 2498407
N-[4-(dimethylamino)phenyl]-2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide
CID 2574686

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[[2-(2,4,5-trioxo-3-propylimidazolidin-1-yl)acetyl]amino]benzamide?
The IUPAC name of N,N-dimethyl-4-[[2-(2,4,5-trioxo-3-propylimidazolidin-1-yl)acetyl]amino]benzamide (CID 8626617) is N,N-dimethyl-4-[[2-(2,4,5-trioxo-3-propylimidazolidin-1-yl)acetyl]amino]benzamide.
What is the SMILES notation for N,N-dimethyl-4-[[2-(2,4,5-trioxo-3-propylimidazolidin-1-yl)acetyl]amino]benzamide?
The canonical SMILES for N,N-dimethyl-4-[[2-(2,4,5-trioxo-3-propylimidazolidin-1-yl)acetyl]amino]benzamide is CCCN1C(=O)C(=O)N(CC(=O)Nc2ccc(C(=O)N(C)C)cc2)C1=O.
What is the InChIKey of N,N-dimethyl-4-[[2-(2,4,5-trioxo-3-propylimidazolidin-1-yl)acetyl]amino]benzamide?
The InChIKey is KIOQPBVSICLOIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O5/c1-4-9-20-15(24)16(25)21(17(20)26)10-13(22)18-12-7-5-11(6-8-12)14(23)19(2)3/h5-8H,4,9-10H2,1-3H3,(H,18,22).
What are the key properties of N,N-dimethyl-4-[[2-(2,4,5-trioxo-3-propylimidazolidin-1-yl)acetyl]amino]benzamide?
N,N-dimethyl-4-[[2-(2,4,5-trioxo-3-propylimidazolidin-1-yl)acetyl]amino]benzamide has a molecular weight of 360.37 g/mol, XLogP of 0.53, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[[2-(2,4,5-trioxo-3-propylimidazolidin-1-yl)acetyl]amino]benzamide is sourced from PubChem (CID 8626617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).