N-benzyl-N-tert-butyl-2-[(4S)-2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl]acetamide

C24H27N3O4 — CID 7640156

IUPACN-benzyl-N-tert-butyl-2-[(4S)-2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl]acetamide
SMILESCC(C)(C)N(Cc1ccccc1)C(=O)CN1C(=O)N[C@]2(CCOc3ccccc32)C1=O
InChIInChI=1S/C24H27N3O4/c1-23(2,3)27(15-17-9-5-4-6-10-17)20(28)16-26-21(29)24(25-22(26)30)13-14-31-19-12-8-7-11-18(19)24/h4-12H,13-16H2,1-3H3,(H,25,30)/t24-/m0/s1
InChIKeyJBHTTWUSCILEJP-DEOSSOPVSA-N
MW421.50 g/mol
LogP3.04
Rot. Bonds4

About N-benzyl-N-tert-butyl-2-[(4S)-2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl]acetamide

N-benzyl-N-tert-butyl-2-[(4S)-2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl]acetamide (PubChem CID 7640156) has the molecular formula C24H27N3O4 and a molecular weight of 421.50 g/mol. Its IUPAC name is N-benzyl-N-tert-butyl-2-[(4S)-2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl]acetamide.

Molecular Properties

Compound NameN-benzyl-N-tert-butyl-2-[(4S)-2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl]acetamide
PubChem CID7640156
Molecular FormulaC24H27N3O4
Molecular Weight421.50 g/mol
Exact Mass421.20
IUPAC NameN-benzyl-N-tert-butyl-2-[(4S)-2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl]acetamide
SMILESCC(C)(C)N(Cc1ccccc1)C(=O)CN1C(=O)N[C@]2(CCOc3ccccc32)C1=O
InChIInChI=1S/C24H27N3O4/c1-23(2,3)27(15-17-9-5-4-6-10-17)20(28)16-26-21(29)24(25-22(26)30)13-14-31-19-12-8-7-11-18(19)24/h4-12H,13-16H2,1-3H3,(H,25,30)/t24-/m0/s1
InChIKeyJBHTTWUSCILEJP-DEOSSOPVSA-N
XLogP3.04
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.50
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl)acetic acid
CID 3761688
2-[(4R)-2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl]-N,N-bis(2-methylpropyl)acetamide
CID 2442723
(4S)-3'-[2-(4-tert-butylphenyl)-2-oxoethyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione
CID 51488858
2-[(4R)-2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl]-N-(2-phenylethyl)acetamide
CID 2416765
2-(2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl)-N-ethyl-N-(2-methylprop-2-enyl)acetamide
CID 17429506
(4S)-3'-[2-(4-ethylphenyl)-2-oxoethyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione
CID 40630931
(4S)-3'-[2-oxo-2-(2,4,5-trimethylphenyl)ethyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione
CID 2413694
(4S)-3'-[2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione
CID 40882788
(4R)-3'-[(4-tert-butylphenyl)methyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione
CID 2442704
N-(2-cyanoethyl)-2-(2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl)-N-methylacetamide
CID 43011070
3'-[2-(azepan-1-yl)-2-oxoethyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione
CID 3527073
(4S)-3'-(2-oxo-2-piperidin-1-ylethyl)spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione
CID 2442760

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-tert-butyl-2-[(4S)-2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl]acetamide?
The IUPAC name of N-benzyl-N-tert-butyl-2-[(4S)-2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl]acetamide (CID 7640156) is N-benzyl-N-tert-butyl-2-[(4S)-2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl]acetamide.
What is the SMILES notation for N-benzyl-N-tert-butyl-2-[(4S)-2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl]acetamide?
The canonical SMILES for N-benzyl-N-tert-butyl-2-[(4S)-2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl]acetamide is CC(C)(C)N(Cc1ccccc1)C(=O)CN1C(=O)N[C@]2(CCOc3ccccc32)C1=O.
What is the InChIKey of N-benzyl-N-tert-butyl-2-[(4S)-2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl]acetamide?
The InChIKey is JBHTTWUSCILEJP-DEOSSOPVSA-N. The full InChI is InChI=1S/C24H27N3O4/c1-23(2,3)27(15-17-9-5-4-6-10-17)20(28)16-26-21(29)24(25-22(26)30)13-14-31-19-12-8-7-11-18(19)24/h4-12H,13-16H2,1-3H3,(H,25,30)/t24-/m0/s1.
What are the key properties of N-benzyl-N-tert-butyl-2-[(4S)-2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl]acetamide?
N-benzyl-N-tert-butyl-2-[(4S)-2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl]acetamide has a molecular weight of 421.50 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-tert-butyl-2-[(4S)-2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl]acetamide is sourced from PubChem (CID 7640156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).