N-cyclopropyl-3-[[2-[(4R)-2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl]acetyl]amino]benzamide

C23H22N4O5 — CID 92786679

IUPACN-cyclopropyl-3-[[2-[(4R)-2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl]acetyl]amino]benzamide
SMILESO=C(CN1C(=O)N[C@@]2(CCOc3ccccc32)C1=O)Nc1cccc(C(=O)NC2CC2)c1
InChIInChI=1S/C23H22N4O5/c28-19(24-16-5-3-4-14(12-16)20(29)25-15-8-9-15)13-27-21(30)23(26-22(27)31)10-11-32-18-7-2-1-6-17(18)23/h1-7,12,15H,8-11,13H2,(H,24,28)(H,25,29)(H,26,31)/t23-/m1/s1
InChIKeyAJFIMZWPJGCHNP-HSZRJFAPSA-N
MW434.45 g/mol
LogP1.75
Rot. Bonds5

About N-cyclopropyl-3-[[2-[(4R)-2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl]acetyl]amino]benzamide

N-cyclopropyl-3-[[2-[(4R)-2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl]acetyl]amino]benzamide (PubChem CID 92786679) has the molecular formula C23H22N4O5 and a molecular weight of 434.45 g/mol. Its IUPAC name is N-cyclopropyl-3-[[2-[(4R)-2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl]acetyl]amino]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-3-[[2-[(4R)-2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl]acetyl]amino]benzamide
PubChem CID92786679
Molecular FormulaC23H22N4O5
Molecular Weight434.45 g/mol
Exact Mass434.16
IUPAC NameN-cyclopropyl-3-[[2-[(4R)-2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl]acetyl]amino]benzamide
SMILESO=C(CN1C(=O)N[C@@]2(CCOc3ccccc32)C1=O)Nc1cccc(C(=O)NC2CC2)c1
InChIInChI=1S/C23H22N4O5/c28-19(24-16-5-3-4-14(12-16)20(29)25-15-8-9-15)13-27-21(30)23(26-22(27)31)10-11-32-18-7-2-1-6-17(18)23/h1-7,12,15H,8-11,13H2,(H,24,28)(H,25,29)(H,26,31)/t23-/m1/s1
InChIKeyAJFIMZWPJGCHNP-HSZRJFAPSA-N
XLogP1.75
TPSA116.84 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.45
LogP ≤ 51.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-cyclopropyl-3-[[2-(2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl)acetyl]amino]benzamide
CID 45029723
2-[(4R)-2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl]-N-(2-fluorophenyl)acetamide
CID 42051814
N-(2,4-dibromophenyl)-2-[(4R)-2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl]acetamide
CID 25361402
2-(2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl)acetic acid
CID 3761688
3-[[2-[4-(4-chlorophenyl)-4-ethyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]-N-cyclopropylbenzamide
CID 46677334
2-[(4S)-2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl]-N-[(2R)-3-methylbutan-2-yl]acetamide
CID 40791325
2-[(4R)-2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl]-N-(2-phenylethyl)acetamide
CID 2416765
2-[(4R)-2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl]-N-[4-[ethyl(propan-2-yl)amino]phenyl]acetamide
CID 2087993
N-(3-acetylphenyl)-2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)acetamide
CID 16544882
2-[(4S)-2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl]-N-(2,3,4-trifluorophenyl)acetamide
CID 2459892
2-(2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl)-N-(5-methylhexan-2-yl)acetamide
CID 17435318
2-[(4R)-2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 2442742

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-[[2-[(4R)-2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl]acetyl]amino]benzamide?
The IUPAC name of N-cyclopropyl-3-[[2-[(4R)-2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl]acetyl]amino]benzamide (CID 92786679) is N-cyclopropyl-3-[[2-[(4R)-2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl]acetyl]amino]benzamide.
What is the SMILES notation for N-cyclopropyl-3-[[2-[(4R)-2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl]acetyl]amino]benzamide?
The canonical SMILES for N-cyclopropyl-3-[[2-[(4R)-2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl]acetyl]amino]benzamide is O=C(CN1C(=O)N[C@@]2(CCOc3ccccc32)C1=O)Nc1cccc(C(=O)NC2CC2)c1.
What is the InChIKey of N-cyclopropyl-3-[[2-[(4R)-2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl]acetyl]amino]benzamide?
The InChIKey is AJFIMZWPJGCHNP-HSZRJFAPSA-N. The full InChI is InChI=1S/C23H22N4O5/c28-19(24-16-5-3-4-14(12-16)20(29)25-15-8-9-15)13-27-21(30)23(26-22(27)31)10-11-32-18-7-2-1-6-17(18)23/h1-7,12,15H,8-11,13H2,(H,24,28)(H,25,29)(H,26,31)/t23-/m1/s1.
What are the key properties of N-cyclopropyl-3-[[2-[(4R)-2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl]acetyl]amino]benzamide?
N-cyclopropyl-3-[[2-[(4R)-2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl]acetyl]amino]benzamide has a molecular weight of 434.45 g/mol, XLogP of 1.75, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-[[2-[(4R)-2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl]acetyl]amino]benzamide is sourced from PubChem (CID 92786679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).