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

C27H32N4O4 — CID 45485677

IUPAC2,2-dimethyl-N-[2-[[(2S)-1'-methyl-2',4'-dioxospiro[1,3-dihydroindene-2,5'-imidazolidine]-5-yl]amino]-2-oxoethyl]-N-[(1R)-1-phenylethyl]propanamide
SMILESC[C@H](c1ccccc1)N(CC(=O)Nc1ccc2c(c1)C[C@@]1(C2)C(=O)NC(=O)N1C)C(=O)C(C)(C)C
InChIInChI=1S/C27H32N4O4/c1-17(18-9-7-6-8-10-18)31(24(34)26(2,3)4)16-22(32)28-21-12-11-19-14-27(15-20(19)13-21)23(33)29-25(35)30(27)5/h6-13,17H,14-16H2,1-5H3,(H,28,32)(H,29,33,35)/t17-,27+/m1/s1
InChIKeyOXLJPUYTPSHXLV-CRYYWNKWSA-N
MW476.58 g/mol
LogP3.28
Rot. Bonds5

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

2,2-dimethyl-N-[2-[[(2S)-1'-methyl-2',4'-dioxospiro[1,3-dihydroindene-2,5'-imidazolidine]-5-yl]amino]-2-oxoethyl]-N-[(1R)-1-phenylethyl]propanamide (PubChem CID 45485677) has the molecular formula C27H32N4O4 and a molecular weight of 476.58 g/mol. Its IUPAC name is 2,2-dimethyl-N-[2-[[(2S)-1'-methyl-2',4'-dioxospiro[1,3-dihydroindene-2,5'-imidazolidine]-5-yl]amino]-2-oxoethyl]-N-[(1R)-1-phenylethyl]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[2-[[(2S)-1'-methyl-2',4'-dioxospiro[1,3-dihydroindene-2,5'-imidazolidine]-5-yl]amino]-2-oxoethyl]-N-[(1R)-1-phenylethyl]propanamide
PubChem CID45485677
Molecular FormulaC27H32N4O4
Molecular Weight476.58 g/mol
Exact Mass476.24
IUPAC Name2,2-dimethyl-N-[2-[[(2S)-1'-methyl-2',4'-dioxospiro[1,3-dihydroindene-2,5'-imidazolidine]-5-yl]amino]-2-oxoethyl]-N-[(1R)-1-phenylethyl]propanamide
SMILESC[C@H](c1ccccc1)N(CC(=O)Nc1ccc2c(c1)C[C@@]1(C2)C(=O)NC(=O)N1C)C(=O)C(C)(C)C
InChIInChI=1S/C27H32N4O4/c1-17(18-9-7-6-8-10-18)31(24(34)26(2,3)4)16-22(32)28-21-12-11-19-14-27(15-20(19)13-21)23(33)29-25(35)30(27)5/h6-13,17H,14-16H2,1-5H3,(H,28,32)(H,29,33,35)/t17-,27+/m1/s1
InChIKeyOXLJPUYTPSHXLV-CRYYWNKWSA-N
XLogP3.28
TPSA98.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.58
LogP ≤ 53.28
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 2,2-dimethyl-N-[2-[[(2S)-1'-methyl-2',4'-dioxospiro[1,3-dihydroindene-2,5'-imidazolidine]-5-yl]amino]-2-oxoethyl]-N-[(1R)-1-phenylethyl]propanamide?
The IUPAC name of 2,2-dimethyl-N-[2-[[(2S)-1'-methyl-2',4'-dioxospiro[1,3-dihydroindene-2,5'-imidazolidine]-5-yl]amino]-2-oxoethyl]-N-[(1R)-1-phenylethyl]propanamide (CID 45485677) is 2,2-dimethyl-N-[2-[[(2S)-1'-methyl-2',4'-dioxospiro[1,3-dihydroindene-2,5'-imidazolidine]-5-yl]amino]-2-oxoethyl]-N-[(1R)-1-phenylethyl]propanamide.
What is the SMILES notation for 2,2-dimethyl-N-[2-[[(2S)-1'-methyl-2',4'-dioxospiro[1,3-dihydroindene-2,5'-imidazolidine]-5-yl]amino]-2-oxoethyl]-N-[(1R)-1-phenylethyl]propanamide?
The canonical SMILES for 2,2-dimethyl-N-[2-[[(2S)-1'-methyl-2',4'-dioxospiro[1,3-dihydroindene-2,5'-imidazolidine]-5-yl]amino]-2-oxoethyl]-N-[(1R)-1-phenylethyl]propanamide is C[C@H](c1ccccc1)N(CC(=O)Nc1ccc2c(c1)C[C@@]1(C2)C(=O)NC(=O)N1C)C(=O)C(C)(C)C.
What is the InChIKey of 2,2-dimethyl-N-[2-[[(2S)-1'-methyl-2',4'-dioxospiro[1,3-dihydroindene-2,5'-imidazolidine]-5-yl]amino]-2-oxoethyl]-N-[(1R)-1-phenylethyl]propanamide?
The InChIKey is OXLJPUYTPSHXLV-CRYYWNKWSA-N. The full InChI is InChI=1S/C27H32N4O4/c1-17(18-9-7-6-8-10-18)31(24(34)26(2,3)4)16-22(32)28-21-12-11-19-14-27(15-20(19)13-21)23(33)29-25(35)30(27)5/h6-13,17H,14-16H2,1-5H3,(H,28,32)(H,29,33,35)/t17-,27+/m1/s1.
What are the key properties of 2,2-dimethyl-N-[2-[[(2S)-1'-methyl-2',4'-dioxospiro[1,3-dihydroindene-2,5'-imidazolidine]-5-yl]amino]-2-oxoethyl]-N-[(1R)-1-phenylethyl]propanamide?
2,2-dimethyl-N-[2-[[(2S)-1'-methyl-2',4'-dioxospiro[1,3-dihydroindene-2,5'-imidazolidine]-5-yl]amino]-2-oxoethyl]-N-[(1R)-1-phenylethyl]propanamide has a molecular weight of 476.58 g/mol, XLogP of 3.28, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[2-[[(2S)-1'-methyl-2',4'-dioxospiro[1,3-dihydroindene-2,5'-imidazolidine]-5-yl]amino]-2-oxoethyl]-N-[(1R)-1-phenylethyl]propanamide is sourced from PubChem (CID 45485677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).