phenyl N-[3-(1-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]carbamate

C17H15N3O4 — CID 110715408

IUPACphenyl N-[3-(1-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]carbamate
SMILESCN1C(=O)NC(c2cccc(NC(=O)Oc3ccccc3)c2)C1=O
InChIInChI=1S/C17H15N3O4/c1-20-15(21)14(19-16(20)22)11-6-5-7-12(10-11)18-17(23)24-13-8-3-2-4-9-13/h2-10,14H,1H3,(H,18,23)(H,19,22)
InChIKeyAFEABWLQMYRFHA-UHFFFAOYSA-N
MW325.32 g/mol
LogP2.52
Rot. Bonds3

About phenyl N-[3-(1-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]carbamate

phenyl N-[3-(1-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]carbamate (PubChem CID 110715408) has the molecular formula C17H15N3O4 and a molecular weight of 325.32 g/mol. Its IUPAC name is phenyl N-[3-(1-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]carbamate.

Molecular Properties

Compound Namephenyl N-[3-(1-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]carbamate
PubChem CID110715408
Molecular FormulaC17H15N3O4
Molecular Weight325.32 g/mol
Exact Mass325.11
IUPAC Namephenyl N-[3-(1-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]carbamate
SMILESCN1C(=O)NC(c2cccc(NC(=O)Oc3ccccc3)c2)C1=O
InChIInChI=1S/C17H15N3O4/c1-20-15(21)14(19-16(20)22)11-6-5-7-12(10-11)18-17(23)24-13-8-3-2-4-9-13/h2-10,14H,1H3,(H,18,23)(H,19,22)
InChIKeyAFEABWLQMYRFHA-UHFFFAOYSA-N
XLogP2.52
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.32
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(1-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]-2-phenylacetamide
CID 110715395
N-[3-(1-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]cyclopropanecarboxamide
CID 110715371
N-[3-(1-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]pyrazine-2-carboxamide
CID 110742560
[3-(phenoxycarbonylamino)phenyl] N-methylcarbamate
CID 134105214
N-[4-(1-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]-2-phenoxyacetamide
CID 110715342
ethyl (6R)-3,4-dimethyl-2-oxo-6-[3-[(2-phenoxyacetyl)amino]phenyl]-1,6-dihydropyrimidine-5-carboxylate
CID 7294613
[3-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]phenyl] N-phenylcarbamate
CID 7011642
phenyl N-[3-(methylaminomethyl)phenyl]carbamate
CID 43602480
[3-(propanoylamino)phenyl] N-phenylcarbamate
CID 57133762
[3-(methylcarbamothioylamino)phenyl] N-phenylcarbamate
CID 160992044
propan-2-yl (6S)-3,4-dimethyl-2-oxo-6-[3-[[(E)-3-phenylprop-2-enoyl]amino]phenyl]-1,6-dihydropyrimidine-5-carboxylate
CID 93097977
propan-2-yl (6S)-6-[3-[(3-methoxybenzoyl)amino]phenyl]-3,4-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate
CID 93097971

Frequently Asked Questions

What is the IUPAC name of phenyl N-[3-(1-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]carbamate?
The IUPAC name of phenyl N-[3-(1-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]carbamate (CID 110715408) is phenyl N-[3-(1-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]carbamate.
What is the SMILES notation for phenyl N-[3-(1-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]carbamate?
The canonical SMILES for phenyl N-[3-(1-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]carbamate is CN1C(=O)NC(c2cccc(NC(=O)Oc3ccccc3)c2)C1=O.
What is the InChIKey of phenyl N-[3-(1-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]carbamate?
The InChIKey is AFEABWLQMYRFHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O4/c1-20-15(21)14(19-16(20)22)11-6-5-7-12(10-11)18-17(23)24-13-8-3-2-4-9-13/h2-10,14H,1H3,(H,18,23)(H,19,22).
What are the key properties of phenyl N-[3-(1-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]carbamate?
phenyl N-[3-(1-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]carbamate has a molecular weight of 325.32 g/mol, XLogP of 2.52, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-[3-(1-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]carbamate is sourced from PubChem (CID 110715408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).