ethyl N-[2-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetyl]carbamate

C15H17N3O5 — CID 2998112

IUPACethyl N-[2-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetyl]carbamate
SMILESCCOC(=O)NC(=O)CN1C(=O)NC(C)(c2ccccc2)C1=O
InChIInChI=1S/C15H17N3O5/c1-3-23-14(22)16-11(19)9-18-12(20)15(2,17-13(18)21)10-7-5-4-6-8-10/h4-8H,3,9H2,1-2H3,(H,17,21)(H,16,19,22)
InChIKeyFNSRQUGCTROHSZ-UHFFFAOYSA-N
MW319.32 g/mol
LogP0.73
Rot. Bonds4

About ethyl N-[2-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetyl]carbamate

ethyl N-[2-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetyl]carbamate (PubChem CID 2998112) has the molecular formula C15H17N3O5 and a molecular weight of 319.32 g/mol. Its IUPAC name is ethyl N-[2-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetyl]carbamate.

Molecular Properties

Compound Nameethyl N-[2-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetyl]carbamate
PubChem CID2998112
Molecular FormulaC15H17N3O5
Molecular Weight319.32 g/mol
Exact Mass319.12
IUPAC Nameethyl N-[2-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetyl]carbamate
SMILESCCOC(=O)NC(=O)CN1C(=O)NC(C)(c2ccccc2)C1=O
InChIInChI=1S/C15H17N3O5/c1-3-23-14(22)16-11(19)9-18-12(20)15(2,17-13(18)21)10-7-5-4-6-8-10/h4-8H,3,9H2,1-2H3,(H,17,21)(H,16,19,22)
InChIKeyFNSRQUGCTROHSZ-UHFFFAOYSA-N
XLogP0.73
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.32
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

Ethotoin
CID 3292
Mephenytoin
CID 4060
Phenylhydantoin
CID 1002
Nirvanol
CID 91480
(5S)-5-methyl-5-phenylimidazolidine-2,4-dione
CID 640021
Mephenytoin, (+)-
CID 107921
5-Phenyl-5-propylimidazolidine-2,4-dione
CID 219572
(+)-Nirvanol
CID 6540813
5-Methyl-5-phenylhydantoin
CID 93043
Methetoin
CID 21908
2-(2,5-Dioxo-4,4-diphenylimidazolidin-1-yl)acetamide
CID 2107999
2,4-Imidazolidinedione, 5,5-diphenyl-3-(3-(1-piperidinyl)propyl)-
CID 3041343

Frequently Asked Questions

What is the IUPAC name of ethyl N-[2-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetyl]carbamate?
The IUPAC name of ethyl N-[2-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetyl]carbamate (CID 2998112) is ethyl N-[2-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetyl]carbamate.
What is the SMILES notation for ethyl N-[2-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetyl]carbamate?
The canonical SMILES for ethyl N-[2-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetyl]carbamate is CCOC(=O)NC(=O)CN1C(=O)NC(C)(c2ccccc2)C1=O.
What is the InChIKey of ethyl N-[2-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetyl]carbamate?
The InChIKey is FNSRQUGCTROHSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O5/c1-3-23-14(22)16-11(19)9-18-12(20)15(2,17-13(18)21)10-7-5-4-6-8-10/h4-8H,3,9H2,1-2H3,(H,17,21)(H,16,19,22).
What are the key properties of ethyl N-[2-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetyl]carbamate?
ethyl N-[2-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetyl]carbamate has a molecular weight of 319.32 g/mol, XLogP of 0.73, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[2-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetyl]carbamate is sourced from PubChem (CID 2998112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).