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

C26H28F2N4O4 — CID 45485640

IUPACN-[(3,5-difluorophenyl)methyl]-2,2-dimethyl-N-[2-[[(2S)-1'-methyl-2',4'-dioxospiro[1,3-dihydroindene-2,5'-imidazolidine]-5-yl]amino]-2-oxoethyl]propanamide
SMILESCN1C(=O)NC(=O)[C@@]12Cc1ccc(NC(=O)CN(Cc3cc(F)cc(F)c3)C(=O)C(C)(C)C)cc1C2
InChIInChI=1S/C26H28F2N4O4/c1-25(2,3)23(35)32(13-15-7-18(27)10-19(28)8-15)14-21(33)29-20-6-5-16-11-26(12-17(16)9-20)22(34)30-24(36)31(26)4/h5-10H,11-14H2,1-4H3,(H,29,33)(H,30,34,36)/t26-/m0/s1
InChIKeyMTTYNNZFOQAXKJ-SANMLTNESA-N
MW498.53 g/mol
LogP3.00
Rot. Bonds5

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

N-[(3,5-difluorophenyl)methyl]-2,2-dimethyl-N-[2-[[(2S)-1'-methyl-2',4'-dioxospiro[1,3-dihydroindene-2,5'-imidazolidine]-5-yl]amino]-2-oxoethyl]propanamide (PubChem CID 45485640) has the molecular formula C26H28F2N4O4 and a molecular weight of 498.53 g/mol. Its IUPAC name is N-[(3,5-difluorophenyl)methyl]-2,2-dimethyl-N-[2-[[(2S)-1'-methyl-2',4'-dioxospiro[1,3-dihydroindene-2,5'-imidazolidine]-5-yl]amino]-2-oxoethyl]propanamide.

Molecular Properties

Compound NameN-[(3,5-difluorophenyl)methyl]-2,2-dimethyl-N-[2-[[(2S)-1'-methyl-2',4'-dioxospiro[1,3-dihydroindene-2,5'-imidazolidine]-5-yl]amino]-2-oxoethyl]propanamide
PubChem CID45485640
Molecular FormulaC26H28F2N4O4
Molecular Weight498.53 g/mol
Exact Mass498.21
IUPAC NameN-[(3,5-difluorophenyl)methyl]-2,2-dimethyl-N-[2-[[(2S)-1'-methyl-2',4'-dioxospiro[1,3-dihydroindene-2,5'-imidazolidine]-5-yl]amino]-2-oxoethyl]propanamide
SMILESCN1C(=O)NC(=O)[C@@]12Cc1ccc(NC(=O)CN(Cc3cc(F)cc(F)c3)C(=O)C(C)(C)C)cc1C2
InChIInChI=1S/C26H28F2N4O4/c1-25(2,3)23(35)32(13-15-7-18(27)10-19(28)8-15)14-21(33)29-20-6-5-16-11-26(12-17(16)9-20)22(34)30-24(36)31(26)4/h5-10H,11-14H2,1-4H3,(H,29,33)(H,30,34,36)/t26-/m0/s1
InChIKeyMTTYNNZFOQAXKJ-SANMLTNESA-N
XLogP3.00
TPSA98.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.53
LogP ≤ 53.00
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]-2,2-dimethyl-N-[2-[[(2S)-1'-methyl-2',4'-dioxospiro[1,3-dihydroindene-2,5'-imidazolidine]-5-yl]amino]-2-oxoethyl]propanamide?
The IUPAC name of N-[(3,5-difluorophenyl)methyl]-2,2-dimethyl-N-[2-[[(2S)-1'-methyl-2',4'-dioxospiro[1,3-dihydroindene-2,5'-imidazolidine]-5-yl]amino]-2-oxoethyl]propanamide (CID 45485640) is N-[(3,5-difluorophenyl)methyl]-2,2-dimethyl-N-[2-[[(2S)-1'-methyl-2',4'-dioxospiro[1,3-dihydroindene-2,5'-imidazolidine]-5-yl]amino]-2-oxoethyl]propanamide.
What is the SMILES notation for N-[(3,5-difluorophenyl)methyl]-2,2-dimethyl-N-[2-[[(2S)-1'-methyl-2',4'-dioxospiro[1,3-dihydroindene-2,5'-imidazolidine]-5-yl]amino]-2-oxoethyl]propanamide?
The canonical SMILES for N-[(3,5-difluorophenyl)methyl]-2,2-dimethyl-N-[2-[[(2S)-1'-methyl-2',4'-dioxospiro[1,3-dihydroindene-2,5'-imidazolidine]-5-yl]amino]-2-oxoethyl]propanamide is CN1C(=O)NC(=O)[C@@]12Cc1ccc(NC(=O)CN(Cc3cc(F)cc(F)c3)C(=O)C(C)(C)C)cc1C2.
What is the InChIKey of N-[(3,5-difluorophenyl)methyl]-2,2-dimethyl-N-[2-[[(2S)-1'-methyl-2',4'-dioxospiro[1,3-dihydroindene-2,5'-imidazolidine]-5-yl]amino]-2-oxoethyl]propanamide?
The InChIKey is MTTYNNZFOQAXKJ-SANMLTNESA-N. The full InChI is InChI=1S/C26H28F2N4O4/c1-25(2,3)23(35)32(13-15-7-18(27)10-19(28)8-15)14-21(33)29-20-6-5-16-11-26(12-17(16)9-20)22(34)30-24(36)31(26)4/h5-10H,11-14H2,1-4H3,(H,29,33)(H,30,34,36)/t26-/m0/s1.
What are the key properties of N-[(3,5-difluorophenyl)methyl]-2,2-dimethyl-N-[2-[[(2S)-1'-methyl-2',4'-dioxospiro[1,3-dihydroindene-2,5'-imidazolidine]-5-yl]amino]-2-oxoethyl]propanamide?
N-[(3,5-difluorophenyl)methyl]-2,2-dimethyl-N-[2-[[(2S)-1'-methyl-2',4'-dioxospiro[1,3-dihydroindene-2,5'-imidazolidine]-5-yl]amino]-2-oxoethyl]propanamide has a molecular weight of 498.53 g/mol, XLogP of 3.00, 5 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]-2,2-dimethyl-N-[2-[[(2S)-1'-methyl-2',4'-dioxospiro[1,3-dihydroindene-2,5'-imidazolidine]-5-yl]amino]-2-oxoethyl]propanamide is sourced from PubChem (CID 45485640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).