3-[[2-(4-benzyl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]-N-cyclopropylbenzamide

C22H22N4O4 — CID 46687587

IUPAC3-[[2-(4-benzyl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]-N-cyclopropylbenzamide
SMILESO=C(CN1C(=O)NC(Cc2ccccc2)C1=O)Nc1cccc(C(=O)NC2CC2)c1
InChIInChI=1S/C22H22N4O4/c27-19(23-17-8-4-7-15(12-17)20(28)24-16-9-10-16)13-26-21(29)18(25-22(26)30)11-14-5-2-1-3-6-14/h1-8,12,16,18H,9-11,13H2,(H,23,27)(H,24,28)(H,25,30)
InChIKeyWMYQZJIVSHHSAC-UHFFFAOYSA-N
MW406.44 g/mol
LogP1.68
Rot. Bonds7

About 3-[[2-(4-benzyl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]-N-cyclopropylbenzamide

3-[[2-(4-benzyl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]-N-cyclopropylbenzamide (PubChem CID 46687587) has the molecular formula C22H22N4O4 and a molecular weight of 406.44 g/mol. Its IUPAC name is 3-[[2-(4-benzyl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]-N-cyclopropylbenzamide.

Molecular Properties

Compound Name3-[[2-(4-benzyl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]-N-cyclopropylbenzamide
PubChem CID46687587
Molecular FormulaC22H22N4O4
Molecular Weight406.44 g/mol
Exact Mass406.16
IUPAC Name3-[[2-(4-benzyl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]-N-cyclopropylbenzamide
SMILESO=C(CN1C(=O)NC(Cc2ccccc2)C1=O)Nc1cccc(C(=O)NC2CC2)c1
InChIInChI=1S/C22H22N4O4/c27-19(23-17-8-4-7-15(12-17)20(28)24-16-9-10-16)13-26-21(29)18(25-22(26)30)11-14-5-2-1-3-6-14/h1-8,12,16,18H,9-11,13H2,(H,23,27)(H,24,28)(H,25,30)
InChIKeyWMYQZJIVSHHSAC-UHFFFAOYSA-N
XLogP1.68
TPSA107.61 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.44
LogP ≤ 51.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(4S)-4-benzyl-2,5-dioxoimidazolidin-1-yl]-N-(4-fluorophenyl)acetamide
CID 2090381
N-cyclopropyl-3-[[2-[(2-phenylacetyl)amino]acetyl]amino]benzamide
CID 26110998
N-cyclopropyl-3-[(2-phenylsulfanylacetyl)amino]benzamide
CID 27447667
N-cyclopropyl-3-[[2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)acetyl]amino]benzamide
CID 26993725
2-[(4R)-4-benzyl-2,5-dioxoimidazolidin-1-yl]-N-(2,6-dimethylphenyl)acetamide
CID 51864031
2-[(4S)-4-benzyl-2,5-dioxoimidazolidin-1-yl]-N-(4-morpholin-4-ylphenyl)acetamide
CID 2118924
3-[[2-(4-aminopiperidin-1-yl)acetyl]amino]-N-cyclopropylbenzamide
CID 119908377
N-cyclopropyl-3-[[2-(2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl)acetyl]amino]benzamide
CID 45029723
N-cyclopropyl-3-[[2-[(4R)-2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl]acetyl]amino]benzamide
CID 92786679
2-[(4S)-4-benzyl-2,5-dioxoimidazolidin-1-yl]-N-[2,6-di(propan-2-yl)phenyl]acetamide
CID 29170365
N-benzhydryl-2-[(4S)-4-benzyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 2462942
2-[(4R)-4-benzyl-2,5-dioxoimidazolidin-1-yl]-N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)acetamide
CID 41133469

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(4-benzyl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]-N-cyclopropylbenzamide?
The IUPAC name of 3-[[2-(4-benzyl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]-N-cyclopropylbenzamide (CID 46687587) is 3-[[2-(4-benzyl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]-N-cyclopropylbenzamide.
What is the SMILES notation for 3-[[2-(4-benzyl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]-N-cyclopropylbenzamide?
The canonical SMILES for 3-[[2-(4-benzyl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]-N-cyclopropylbenzamide is O=C(CN1C(=O)NC(Cc2ccccc2)C1=O)Nc1cccc(C(=O)NC2CC2)c1.
What is the InChIKey of 3-[[2-(4-benzyl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]-N-cyclopropylbenzamide?
The InChIKey is WMYQZJIVSHHSAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O4/c27-19(23-17-8-4-7-15(12-17)20(28)24-16-9-10-16)13-26-21(29)18(25-22(26)30)11-14-5-2-1-3-6-14/h1-8,12,16,18H,9-11,13H2,(H,23,27)(H,24,28)(H,25,30).
What are the key properties of 3-[[2-(4-benzyl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]-N-cyclopropylbenzamide?
3-[[2-(4-benzyl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]-N-cyclopropylbenzamide has a molecular weight of 406.44 g/mol, XLogP of 1.68, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(4-benzyl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]-N-cyclopropylbenzamide is sourced from PubChem (CID 46687587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).