[3-[methyl(phenyl)carbamoyl]oxy-1-adamantyl] N-methyl-N-phenylcarbamate

C26H30N2O4 — CID 118583406

IUPAC[3-[methyl(phenyl)carbamoyl]oxy-1-adamantyl] N-methyl-N-phenylcarbamate
SMILESCN(C(=O)OC12CC3CC(C1)CC(OC(=O)N(C)c1ccccc1)(C3)C2)c1ccccc1
InChIInChI=1S/C26H30N2O4/c1-27(21-9-5-3-6-10-21)23(29)31-25-14-19-13-20(15-25)17-26(16-19,18-25)32-24(30)28(2)22-11-7-4-8-12-22/h3-12,19-20H,13-18H2,1-2H3
InChIKeyXLQLXGHCCUZANZ-UHFFFAOYSA-N
MW434.54 g/mol
LogP5.62
Rot. Bonds4

About [3-[methyl(phenyl)carbamoyl]oxy-1-adamantyl] N-methyl-N-phenylcarbamate

[3-[methyl(phenyl)carbamoyl]oxy-1-adamantyl] N-methyl-N-phenylcarbamate (PubChem CID 118583406) has the molecular formula C26H30N2O4 and a molecular weight of 434.54 g/mol. Its IUPAC name is [3-[methyl(phenyl)carbamoyl]oxy-1-adamantyl] N-methyl-N-phenylcarbamate.

Molecular Properties

Compound Name[3-[methyl(phenyl)carbamoyl]oxy-1-adamantyl] N-methyl-N-phenylcarbamate
PubChem CID118583406
Molecular FormulaC26H30N2O4
Molecular Weight434.54 g/mol
Exact Mass434.22
IUPAC Name[3-[methyl(phenyl)carbamoyl]oxy-1-adamantyl] N-methyl-N-phenylcarbamate
SMILESCN(C(=O)OC12CC3CC(C1)CC(OC(=O)N(C)c1ccccc1)(C3)C2)c1ccccc1
InChIInChI=1S/C26H30N2O4/c1-27(21-9-5-3-6-10-21)23(29)31-25-14-19-13-20(15-25)17-26(16-19,18-25)32-24(30)28(2)22-11-7-4-8-12-22/h3-12,19-20H,13-18H2,1-2H3
InChIKeyXLQLXGHCCUZANZ-UHFFFAOYSA-N
XLogP5.62
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.54
LogP ≤ 55.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-adamantyl)-N'-methyl-N'-phenyloxamide
CID 108520987
N-[4-(1-adamantyloxy)phenyl]-N-methyl-2-phenylacetamide
CID 12510300
1-adamantyl benzoate
CID 2753105
(4-hydroxycyclohexyl) N-methyl-N-phenylcarbamate
CID 174772133
methyl 3-[3-[methyl-(4-phenylphenyl)carbamoyl]-1-adamantyl]adamantane-1-carboxylate
CID 58493862
tert-butyl N-(1-adamantyl)-N-phenylcarbamate
CID 135063861
[4-[2-[[3-(methoxymethoxy)-1-adamantyl]oxy]-2-oxoethoxy]phenyl]-diphenylsulfanium
CID 59602076
(1-methylpyridin-1-ium-4-yl) N-methyl-N-phenylcarbamate
CID 10022032
acetamido N-methyl-N-phenylcarbamate
CID 155295151
2-hydroxyethyl N-methyl-N-phenylcarbamate
CID 79346039
1-adamantyl 2-phenylbutanoate
CID 101257147
3-[3-[(4-methoxyphenyl)-methylcarbamoyl]-1-adamantyl]adamantane-1-carboxylic acid
CID 58493896

Frequently Asked Questions

What is the IUPAC name of [3-[methyl(phenyl)carbamoyl]oxy-1-adamantyl] N-methyl-N-phenylcarbamate?
The IUPAC name of [3-[methyl(phenyl)carbamoyl]oxy-1-adamantyl] N-methyl-N-phenylcarbamate (CID 118583406) is [3-[methyl(phenyl)carbamoyl]oxy-1-adamantyl] N-methyl-N-phenylcarbamate.
What is the SMILES notation for [3-[methyl(phenyl)carbamoyl]oxy-1-adamantyl] N-methyl-N-phenylcarbamate?
The canonical SMILES for [3-[methyl(phenyl)carbamoyl]oxy-1-adamantyl] N-methyl-N-phenylcarbamate is CN(C(=O)OC12CC3CC(C1)CC(OC(=O)N(C)c1ccccc1)(C3)C2)c1ccccc1.
What is the InChIKey of [3-[methyl(phenyl)carbamoyl]oxy-1-adamantyl] N-methyl-N-phenylcarbamate?
The InChIKey is XLQLXGHCCUZANZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N2O4/c1-27(21-9-5-3-6-10-21)23(29)31-25-14-19-13-20(15-25)17-26(16-19,18-25)32-24(30)28(2)22-11-7-4-8-12-22/h3-12,19-20H,13-18H2,1-2H3.
What are the key properties of [3-[methyl(phenyl)carbamoyl]oxy-1-adamantyl] N-methyl-N-phenylcarbamate?
[3-[methyl(phenyl)carbamoyl]oxy-1-adamantyl] N-methyl-N-phenylcarbamate has a molecular weight of 434.54 g/mol, XLogP of 5.62, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[methyl(phenyl)carbamoyl]oxy-1-adamantyl] N-methyl-N-phenylcarbamate is sourced from PubChem (CID 118583406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).