N-cyclohexyl-N-[(4-fluorophenyl)methyl]-2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide

C22H28FN3O4 — CID 7571271

IUPACN-cyclohexyl-N-[(4-fluorophenyl)methyl]-2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide
SMILESCC(C)CN1C(=O)C(=O)N(CC(=O)N(Cc2ccc(F)cc2)C2CCCCC2)C1=O
InChIInChI=1S/C22H28FN3O4/c1-15(2)12-25-20(28)21(29)26(22(25)30)14-19(27)24(18-6-4-3-5-7-18)13-16-8-10-17(23)11-9-16/h8-11,15,18H,3-7,12-14H2,1-2H3
InChIKeyVEXKUZMOMMUDFN-UHFFFAOYSA-N
MW417.48 g/mol
LogP2.93
Rot. Bonds7

About N-cyclohexyl-N-[(4-fluorophenyl)methyl]-2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide

N-cyclohexyl-N-[(4-fluorophenyl)methyl]-2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide (PubChem CID 7571271) has the molecular formula C22H28FN3O4 and a molecular weight of 417.48 g/mol. Its IUPAC name is N-cyclohexyl-N-[(4-fluorophenyl)methyl]-2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-cyclohexyl-N-[(4-fluorophenyl)methyl]-2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide
PubChem CID7571271
Molecular FormulaC22H28FN3O4
Molecular Weight417.48 g/mol
Exact Mass417.21
IUPAC NameN-cyclohexyl-N-[(4-fluorophenyl)methyl]-2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide
SMILESCC(C)CN1C(=O)C(=O)N(CC(=O)N(Cc2ccc(F)cc2)C2CCCCC2)C1=O
InChIInChI=1S/C22H28FN3O4/c1-15(2)12-25-20(28)21(29)26(22(25)30)14-19(27)24(18-6-4-3-5-7-18)13-16-8-10-17(23)11-9-16/h8-11,15,18H,3-7,12-14H2,1-2H3
InChIKeyVEXKUZMOMMUDFN-UHFFFAOYSA-N
XLogP2.93
TPSA78.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.48
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-Benzylimidazolidine-2,4,5-trione
CID 562619
2,4-Imidazolidinedione, 3-(phenylmethyl)-
CID 231959
N-[1-benzyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]pentanamide
CID 4264496
1-[(2-Fluorophenyl)methyl]imidazolidine-2,4,5-trione
CID 2767579
3-Benzyl-2,5-dioxo-4,4-dimethylimidazolidine
CID 4601988
(2S)-4-(2,5-difluorophenyl)-N,N-dimethyl-2-phenylpyrrolidine-1-carboxamide
CID 6102825
2-(3-Benzyl-2,4,5-trioxoimidazolidin-1-yl)acetamide
CID 1873399
Ethyl 2-[3-(2-fluorobenzyl)-2,4,5-trioxo-1-imidazolidinyl]acetate
CID 2767595
2-[3-(4-Methylbenzyl)-2,4,5-trioxo-1-imidazolidinyl]acetamide
CID 2767614
2-[3-(3-Fluorobenzyl)-2,4,5-trioxo-1-imidazolidinyl]acetic acid
CID 3749771
N-cyclopentyl-2-[3-(2-fluorobenzyl)-2-oxoimidazolidin-1-yl]acetamide
CID 4204383
N-cyclopentyl-2-[3-(4-fluorobenzyl)-2-oxoimidazolidin-1-yl]acetamide
CID 4205522

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-[(4-fluorophenyl)methyl]-2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide?
The IUPAC name of N-cyclohexyl-N-[(4-fluorophenyl)methyl]-2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide (CID 7571271) is N-cyclohexyl-N-[(4-fluorophenyl)methyl]-2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide.
What is the SMILES notation for N-cyclohexyl-N-[(4-fluorophenyl)methyl]-2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide?
The canonical SMILES for N-cyclohexyl-N-[(4-fluorophenyl)methyl]-2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide is CC(C)CN1C(=O)C(=O)N(CC(=O)N(Cc2ccc(F)cc2)C2CCCCC2)C1=O.
What is the InChIKey of N-cyclohexyl-N-[(4-fluorophenyl)methyl]-2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide?
The InChIKey is VEXKUZMOMMUDFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28FN3O4/c1-15(2)12-25-20(28)21(29)26(22(25)30)14-19(27)24(18-6-4-3-5-7-18)13-16-8-10-17(23)11-9-16/h8-11,15,18H,3-7,12-14H2,1-2H3.
What are the key properties of N-cyclohexyl-N-[(4-fluorophenyl)methyl]-2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide?
N-cyclohexyl-N-[(4-fluorophenyl)methyl]-2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide has a molecular weight of 417.48 g/mol, XLogP of 2.93, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-[(4-fluorophenyl)methyl]-2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide is sourced from PubChem (CID 7571271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).