N-carbamoyl-2-(2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl)acetamide

C14H14N4O5 — CID 3270671

IUPACN-carbamoyl-2-(2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl)acetamide
SMILESNC(=O)NC(=O)CN1C(=O)NC2(CCOc3ccccc32)C1=O
InChIInChI=1S/C14H14N4O5/c15-12(21)16-10(19)7-18-11(20)14(17-13(18)22)5-6-23-9-4-2-1-3-8(9)14/h1-4H,5-7H2,(H,17,22)(H3,15,16,19,21)
InChIKeyKVIHCSKMDVZFHT-UHFFFAOYSA-N
MW318.29 g/mol
LogP-0.59
Rot. Bonds2

About N-carbamoyl-2-(2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl)acetamide

N-carbamoyl-2-(2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl)acetamide (PubChem CID 3270671) has the molecular formula C14H14N4O5 and a molecular weight of 318.29 g/mol. Its IUPAC name is N-carbamoyl-2-(2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl)acetamide.

Molecular Properties

Compound NameN-carbamoyl-2-(2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl)acetamide
PubChem CID3270671
Molecular FormulaC14H14N4O5
Molecular Weight318.29 g/mol
Exact Mass318.10
IUPAC NameN-carbamoyl-2-(2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl)acetamide
SMILESNC(=O)NC(=O)CN1C(=O)NC2(CCOc3ccccc32)C1=O
InChIInChI=1S/C14H14N4O5/c15-12(21)16-10(19)7-18-11(20)14(17-13(18)22)5-6-23-9-4-2-1-3-8(9)14/h1-4H,5-7H2,(H,17,22)(H3,15,16,19,21)
InChIKeyKVIHCSKMDVZFHT-UHFFFAOYSA-N
XLogP-0.59
TPSA130.83 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.29
LogP ≤ 5-0.59
H-Bond Donors ≤ 53
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-carbamoyl-2-(2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl)acetamide?
The IUPAC name of N-carbamoyl-2-(2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl)acetamide (CID 3270671) is N-carbamoyl-2-(2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl)acetamide.
What is the SMILES notation for N-carbamoyl-2-(2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl)acetamide?
The canonical SMILES for N-carbamoyl-2-(2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl)acetamide is NC(=O)NC(=O)CN1C(=O)NC2(CCOc3ccccc32)C1=O.
What is the InChIKey of N-carbamoyl-2-(2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl)acetamide?
The InChIKey is KVIHCSKMDVZFHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O5/c15-12(21)16-10(19)7-18-11(20)14(17-13(18)22)5-6-23-9-4-2-1-3-8(9)14/h1-4H,5-7H2,(H,17,22)(H3,15,16,19,21).
What are the key properties of N-carbamoyl-2-(2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl)acetamide?
N-carbamoyl-2-(2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl)acetamide has a molecular weight of 318.29 g/mol, XLogP of -0.59, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-carbamoyl-2-(2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl)acetamide is sourced from PubChem (CID 3270671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).