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

C33H36N4O5 — CID 59581352

IUPACN-benzyl-2,2-dimethyl-N-[2-[[(2S)-1'-methyl-2',4'-dioxospiro[1,3-dihydroindene-2,5'-imidazolidine]-5-yl]amino]-2-oxoethyl]-3-phenylmethoxypropanamide
SMILESCN1C(=O)NC(=O)[C@@]12Cc1ccc(NC(=O)CN(Cc3ccccc3)C(=O)C(C)(C)COCc3ccccc3)cc1C2
InChIInChI=1S/C33H36N4O5/c1-32(2,22-42-21-24-12-8-5-9-13-24)30(40)37(19-23-10-6-4-7-11-23)20-28(38)34-27-15-14-25-17-33(18-26(25)16-27)29(39)35-31(41)36(33)3/h4-16H,17-22H2,1-3H3,(H,34,38)(H,35,39,41)/t33-/m0/s1
InChIKeyPMKHGIUBHWHVMJ-XIFFEERXSA-N
MW568.67 g/mol
LogP3.92
Rot. Bonds10

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

N-benzyl-2,2-dimethyl-N-[2-[[(2S)-1'-methyl-2',4'-dioxospiro[1,3-dihydroindene-2,5'-imidazolidine]-5-yl]amino]-2-oxoethyl]-3-phenylmethoxypropanamide (PubChem CID 59581352) has the molecular formula C33H36N4O5 and a molecular weight of 568.67 g/mol. Its IUPAC name is N-benzyl-2,2-dimethyl-N-[2-[[(2S)-1'-methyl-2',4'-dioxospiro[1,3-dihydroindene-2,5'-imidazolidine]-5-yl]amino]-2-oxoethyl]-3-phenylmethoxypropanamide.

Molecular Properties

Compound NameN-benzyl-2,2-dimethyl-N-[2-[[(2S)-1'-methyl-2',4'-dioxospiro[1,3-dihydroindene-2,5'-imidazolidine]-5-yl]amino]-2-oxoethyl]-3-phenylmethoxypropanamide
PubChem CID59581352
Molecular FormulaC33H36N4O5
Molecular Weight568.67 g/mol
Exact Mass568.27
IUPAC NameN-benzyl-2,2-dimethyl-N-[2-[[(2S)-1'-methyl-2',4'-dioxospiro[1,3-dihydroindene-2,5'-imidazolidine]-5-yl]amino]-2-oxoethyl]-3-phenylmethoxypropanamide
SMILESCN1C(=O)NC(=O)[C@@]12Cc1ccc(NC(=O)CN(Cc3ccccc3)C(=O)C(C)(C)COCc3ccccc3)cc1C2
InChIInChI=1S/C33H36N4O5/c1-32(2,22-42-21-24-12-8-5-9-13-24)30(40)37(19-23-10-6-4-7-11-23)20-28(38)34-27-15-14-25-17-33(18-26(25)16-27)29(39)35-31(41)36(33)3/h4-16H,17-22H2,1-3H3,(H,34,38)(H,35,39,41)/t33-/m0/s1
InChIKeyPMKHGIUBHWHVMJ-XIFFEERXSA-N
XLogP3.92
TPSA108.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500568.67
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-benzyl-2,2-dimethyl-N-[2-[[(2S)-1'-methyl-2',4'-dioxospiro[1,3-dihydroindene-2,5'-imidazolidine]-5-yl]amino]-2-oxoethyl]-3-phenylmethoxypropanamide?
The IUPAC name of N-benzyl-2,2-dimethyl-N-[2-[[(2S)-1'-methyl-2',4'-dioxospiro[1,3-dihydroindene-2,5'-imidazolidine]-5-yl]amino]-2-oxoethyl]-3-phenylmethoxypropanamide (CID 59581352) is N-benzyl-2,2-dimethyl-N-[2-[[(2S)-1'-methyl-2',4'-dioxospiro[1,3-dihydroindene-2,5'-imidazolidine]-5-yl]amino]-2-oxoethyl]-3-phenylmethoxypropanamide.
What is the SMILES notation for N-benzyl-2,2-dimethyl-N-[2-[[(2S)-1'-methyl-2',4'-dioxospiro[1,3-dihydroindene-2,5'-imidazolidine]-5-yl]amino]-2-oxoethyl]-3-phenylmethoxypropanamide?
The canonical SMILES for N-benzyl-2,2-dimethyl-N-[2-[[(2S)-1'-methyl-2',4'-dioxospiro[1,3-dihydroindene-2,5'-imidazolidine]-5-yl]amino]-2-oxoethyl]-3-phenylmethoxypropanamide is CN1C(=O)NC(=O)[C@@]12Cc1ccc(NC(=O)CN(Cc3ccccc3)C(=O)C(C)(C)COCc3ccccc3)cc1C2.
What is the InChIKey of N-benzyl-2,2-dimethyl-N-[2-[[(2S)-1'-methyl-2',4'-dioxospiro[1,3-dihydroindene-2,5'-imidazolidine]-5-yl]amino]-2-oxoethyl]-3-phenylmethoxypropanamide?
The InChIKey is PMKHGIUBHWHVMJ-XIFFEERXSA-N. The full InChI is InChI=1S/C33H36N4O5/c1-32(2,22-42-21-24-12-8-5-9-13-24)30(40)37(19-23-10-6-4-7-11-23)20-28(38)34-27-15-14-25-17-33(18-26(25)16-27)29(39)35-31(41)36(33)3/h4-16H,17-22H2,1-3H3,(H,34,38)(H,35,39,41)/t33-/m0/s1.
What are the key properties of N-benzyl-2,2-dimethyl-N-[2-[[(2S)-1'-methyl-2',4'-dioxospiro[1,3-dihydroindene-2,5'-imidazolidine]-5-yl]amino]-2-oxoethyl]-3-phenylmethoxypropanamide?
N-benzyl-2,2-dimethyl-N-[2-[[(2S)-1'-methyl-2',4'-dioxospiro[1,3-dihydroindene-2,5'-imidazolidine]-5-yl]amino]-2-oxoethyl]-3-phenylmethoxypropanamide has a molecular weight of 568.67 g/mol, XLogP of 3.92, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2,2-dimethyl-N-[2-[[(2S)-1'-methyl-2',4'-dioxospiro[1,3-dihydroindene-2,5'-imidazolidine]-5-yl]amino]-2-oxoethyl]-3-phenylmethoxypropanamide is sourced from PubChem (CID 59581352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).