N-benzyl-N-[(1S)-1-cyclopropylethyl]-2-[6-(3-hydroxy-3-methylbut-1-ynyl)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]acetamide

About N-benzyl-N-[(1S)-1-cyclopropylethyl]-2-[6-(3-hydroxy-3-methylbut-1-ynyl)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]acetamide

N-benzyl-N-[(1S)-1-cyclopropylethyl]-2-[6-(3-hydroxy-3-methylbut-1-ynyl)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]acetamide (PubChem CID 118957027) has the molecular formula C30H33N3O4 and a molecular weight of 499.61 g/mol. Its IUPAC name is N-benzyl-N-[(1S)-1-cyclopropylethyl]-2-[6-(3-hydroxy-3-methylbut-1-ynyl)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]acetamide.

Molecular Properties

Compound Name	N-benzyl-N-[(1S)-1-cyclopropylethyl]-2-[6-(3-hydroxy-3-methylbut-1-ynyl)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]acetamide
PubChem CID	118957027
Molecular Formula	C30H33N3O4
Molecular Weight	499.61 g/mol
Exact Mass	499.25
IUPAC Name	N-benzyl-N-[(1S)-1-cyclopropylethyl]-2-[6-(3-hydroxy-3-methylbut-1-ynyl)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]acetamide
SMILES	C[C@@H](C1CC1)N(Cc1ccccc1)C(=O)CN1C(=O)NC2(CCc3cc(C#CC(C)(C)O)ccc32)C1=O
InChI	InChI=1S/C30H33N3O4/c1-20(23-10-11-23)32(18-22-7-5-4-6-8-22)26(34)19-33-27(35)30(31-28(33)36)16-14-24-17-21(9-12-25(24)30)13-15-29(2,3)37/h4-9,12,17,20,23,37H,10-11,14,16,18-19H2,1-3H3,(H,31,36)/t20-,30?/m0/s1
InChIKey	QMVYBHBWJYOOTP-JGZNSJETSA-N
XLogP	3.33
TPSA	89.95 Å²
H-Bond Donors	2
H-Bond Acceptors	4
Rotatable Bonds	6
Heavy Atoms	37
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	499.61
LogP ≤ 5	3.33
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[(1S)-1-cyclopropylethyl]-2-[6-(3-hydroxy-3-methylbut-1-ynyl)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]acetamide?

The IUPAC name of N-benzyl-N-[(1S)-1-cyclopropylethyl]-2-[6-(3-hydroxy-3-methylbut-1-ynyl)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]acetamide (CID 118957027) is N-benzyl-N-[(1S)-1-cyclopropylethyl]-2-[6-(3-hydroxy-3-methylbut-1-ynyl)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]acetamide.

What is the SMILES notation for N-benzyl-N-[(1S)-1-cyclopropylethyl]-2-[6-(3-hydroxy-3-methylbut-1-ynyl)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]acetamide?

The canonical SMILES for N-benzyl-N-[(1S)-1-cyclopropylethyl]-2-[6-(3-hydroxy-3-methylbut-1-ynyl)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]acetamide is C[C@@H](C1CC1)N(Cc1ccccc1)C(=O)CN1C(=O)NC2(CCc3cc(C#CC(C)(C)O)ccc32)C1=O.

What is the InChIKey of N-benzyl-N-[(1S)-1-cyclopropylethyl]-2-[6-(3-hydroxy-3-methylbut-1-ynyl)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]acetamide?

The InChIKey is QMVYBHBWJYOOTP-JGZNSJETSA-N. The full InChI is InChI=1S/C30H33N3O4/c1-20(23-10-11-23)32(18-22-7-5-4-6-8-22)26(34)19-33-27(35)30(31-28(33)36)16-14-24-17-21(9-12-25(24)30)13-15-29(2,3)37/h4-9,12,17,20,23,37H,10-11,14,16,18-19H2,1-3H3,(H,31,36)/t20-,30?/m0/s1.

What are the key properties of N-benzyl-N-[(1S)-1-cyclopropylethyl]-2-[6-(3-hydroxy-3-methylbut-1-ynyl)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]acetamide?

N-benzyl-N-[(1S)-1-cyclopropylethyl]-2-[6-(3-hydroxy-3-methylbut-1-ynyl)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]acetamide has a molecular weight of 499.61 g/mol, XLogP of 3.33, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-benzyl-N-[(1S)-1-cyclopropylethyl]-2-[6-(3-hydroxy-3-methylbut-1-ynyl)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]acetamide is sourced from PubChem (CID 118957027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).