N-[(3,5-difluorophenyl)methyl]-1-methyl-N-[2-[[(2S)-1'-methyl-2',4'-dioxospiro[1,3-dihydroindene-2,5'-imidazolidine]-5-yl]amino]-2-oxoethyl]cyclohexane-1-carboxamide

C29H32F2N4O4 — CID 25015785

IUPACN-[(3,5-difluorophenyl)methyl]-1-methyl-N-[2-[[(2S)-1'-methyl-2',4'-dioxospiro[1,3-dihydroindene-2,5'-imidazolidine]-5-yl]amino]-2-oxoethyl]cyclohexane-1-carboxamide
SMILESCN1C(=O)NC(=O)[C@@]12Cc1ccc(NC(=O)CN(Cc3cc(F)cc(F)c3)C(=O)C3(C)CCCCC3)cc1C2
InChIInChI=1S/C29H32F2N4O4/c1-28(8-4-3-5-9-28)26(38)35(16-18-10-21(30)13-22(31)11-18)17-24(36)32-23-7-6-19-14-29(15-20(19)12-23)25(37)33-27(39)34(29)2/h6-7,10-13H,3-5,8-9,14-17H2,1-2H3,(H,32,36)(H,33,37,39)/t29-/m0/s1
InChIKeyPWLFWUBTKUEURF-LJAQVGFWSA-N
MW538.60 g/mol
LogP3.92
Rot. Bonds6

About N-[(3,5-difluorophenyl)methyl]-1-methyl-N-[2-[[(2S)-1'-methyl-2',4'-dioxospiro[1,3-dihydroindene-2,5'-imidazolidine]-5-yl]amino]-2-oxoethyl]cyclohexane-1-carboxamide

N-[(3,5-difluorophenyl)methyl]-1-methyl-N-[2-[[(2S)-1'-methyl-2',4'-dioxospiro[1,3-dihydroindene-2,5'-imidazolidine]-5-yl]amino]-2-oxoethyl]cyclohexane-1-carboxamide (PubChem CID 25015785) has the molecular formula C29H32F2N4O4 and a molecular weight of 538.60 g/mol. Its IUPAC name is N-[(3,5-difluorophenyl)methyl]-1-methyl-N-[2-[[(2S)-1'-methyl-2',4'-dioxospiro[1,3-dihydroindene-2,5'-imidazolidine]-5-yl]amino]-2-oxoethyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-[(3,5-difluorophenyl)methyl]-1-methyl-N-[2-[[(2S)-1'-methyl-2',4'-dioxospiro[1,3-dihydroindene-2,5'-imidazolidine]-5-yl]amino]-2-oxoethyl]cyclohexane-1-carboxamide
PubChem CID25015785
Molecular FormulaC29H32F2N4O4
Molecular Weight538.60 g/mol
Exact Mass538.24
IUPAC NameN-[(3,5-difluorophenyl)methyl]-1-methyl-N-[2-[[(2S)-1'-methyl-2',4'-dioxospiro[1,3-dihydroindene-2,5'-imidazolidine]-5-yl]amino]-2-oxoethyl]cyclohexane-1-carboxamide
SMILESCN1C(=O)NC(=O)[C@@]12Cc1ccc(NC(=O)CN(Cc3cc(F)cc(F)c3)C(=O)C3(C)CCCCC3)cc1C2
InChIInChI=1S/C29H32F2N4O4/c1-28(8-4-3-5-9-28)26(38)35(16-18-10-21(30)13-22(31)11-18)17-24(36)32-23-7-6-19-14-29(15-20(19)12-23)25(37)33-27(39)34(29)2/h6-7,10-13H,3-5,8-9,14-17H2,1-2H3,(H,32,36)(H,33,37,39)/t29-/m0/s1
InChIKeyPWLFWUBTKUEURF-LJAQVGFWSA-N
XLogP3.92
TPSA98.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500538.60
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(3,5-difluorophenyl)methyl]-1-methyl-N-[2-[[(2S)-1'-methyl-2',4'-dioxospiro[1,3-dihydroindene-2,5'-imidazolidine]-5-yl]amino]-2-oxoethyl]cyclohexane-1-carboxamide?
The IUPAC name of N-[(3,5-difluorophenyl)methyl]-1-methyl-N-[2-[[(2S)-1'-methyl-2',4'-dioxospiro[1,3-dihydroindene-2,5'-imidazolidine]-5-yl]amino]-2-oxoethyl]cyclohexane-1-carboxamide (CID 25015785) is N-[(3,5-difluorophenyl)methyl]-1-methyl-N-[2-[[(2S)-1'-methyl-2',4'-dioxospiro[1,3-dihydroindene-2,5'-imidazolidine]-5-yl]amino]-2-oxoethyl]cyclohexane-1-carboxamide.
What is the SMILES notation for N-[(3,5-difluorophenyl)methyl]-1-methyl-N-[2-[[(2S)-1'-methyl-2',4'-dioxospiro[1,3-dihydroindene-2,5'-imidazolidine]-5-yl]amino]-2-oxoethyl]cyclohexane-1-carboxamide?
The canonical SMILES for N-[(3,5-difluorophenyl)methyl]-1-methyl-N-[2-[[(2S)-1'-methyl-2',4'-dioxospiro[1,3-dihydroindene-2,5'-imidazolidine]-5-yl]amino]-2-oxoethyl]cyclohexane-1-carboxamide is CN1C(=O)NC(=O)[C@@]12Cc1ccc(NC(=O)CN(Cc3cc(F)cc(F)c3)C(=O)C3(C)CCCCC3)cc1C2.
What is the InChIKey of N-[(3,5-difluorophenyl)methyl]-1-methyl-N-[2-[[(2S)-1'-methyl-2',4'-dioxospiro[1,3-dihydroindene-2,5'-imidazolidine]-5-yl]amino]-2-oxoethyl]cyclohexane-1-carboxamide?
The InChIKey is PWLFWUBTKUEURF-LJAQVGFWSA-N. The full InChI is InChI=1S/C29H32F2N4O4/c1-28(8-4-3-5-9-28)26(38)35(16-18-10-21(30)13-22(31)11-18)17-24(36)32-23-7-6-19-14-29(15-20(19)12-23)25(37)33-27(39)34(29)2/h6-7,10-13H,3-5,8-9,14-17H2,1-2H3,(H,32,36)(H,33,37,39)/t29-/m0/s1.
What are the key properties of N-[(3,5-difluorophenyl)methyl]-1-methyl-N-[2-[[(2S)-1'-methyl-2',4'-dioxospiro[1,3-dihydroindene-2,5'-imidazolidine]-5-yl]amino]-2-oxoethyl]cyclohexane-1-carboxamide?
N-[(3,5-difluorophenyl)methyl]-1-methyl-N-[2-[[(2S)-1'-methyl-2',4'-dioxospiro[1,3-dihydroindene-2,5'-imidazolidine]-5-yl]amino]-2-oxoethyl]cyclohexane-1-carboxamide has a molecular weight of 538.60 g/mol, XLogP of 3.92, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-difluorophenyl)methyl]-1-methyl-N-[2-[[(2S)-1'-methyl-2',4'-dioxospiro[1,3-dihydroindene-2,5'-imidazolidine]-5-yl]amino]-2-oxoethyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 25015785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).