[carbamoyloxy(diphenyl)methyl] N-ethylcarbamate

C17H18N2O4 — CID 164942360

IUPAC[carbamoyloxy(diphenyl)methyl] N-ethylcarbamate
SMILESCCNC(=O)OC(OC(N)=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C17H18N2O4/c1-2-19-16(21)23-17(22-15(18)20,13-9-5-3-6-10-13)14-11-7-4-8-12-14/h3-12H,2H2,1H3,(H2,18,20)(H,19,21)
InChIKeyKRBPFASSKOIUCS-UHFFFAOYSA-N
MW314.34 g/mol
LogP2.73
Rot. Bonds5

About [carbamoyloxy(diphenyl)methyl] N-ethylcarbamate

[carbamoyloxy(diphenyl)methyl] N-ethylcarbamate (PubChem CID 164942360) has the molecular formula C17H18N2O4 and a molecular weight of 314.34 g/mol. Its IUPAC name is [carbamoyloxy(diphenyl)methyl] N-ethylcarbamate.

Molecular Properties

Compound Name[carbamoyloxy(diphenyl)methyl] N-ethylcarbamate
PubChem CID164942360
Molecular FormulaC17H18N2O4
Molecular Weight314.34 g/mol
Exact Mass314.13
IUPAC Name[carbamoyloxy(diphenyl)methyl] N-ethylcarbamate
SMILESCCNC(=O)OC(OC(N)=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C17H18N2O4/c1-2-19-16(21)23-17(22-15(18)20,13-9-5-3-6-10-13)14-11-7-4-8-12-14/h3-12H,2H2,1H3,(H2,18,20)(H,19,21)
InChIKeyKRBPFASSKOIUCS-UHFFFAOYSA-N
XLogP2.73
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-phenylpropan-2-yl carbamate;propane
CID 175117543
1,1-diphenylethyl carbamate
CID 20976713
[3-(ethylamino)-2-(ethylcarbamoyl)-3-oxo-2-phenylpropyl] acetate
CID 141073730
tert-butyl N-[1-(ethylamino)-1-oxo-2-phenylpropan-2-yl]carbamate
CID 102563275
[dichloro(phenyl)methyl] carbamate
CID 66779545
benzyl N-ethylcarbamate;ethane;molecular hydrogen
CID 143096019
tert-butyl carbamate;propylbenzene
CID 146635957
tert-butyl N-ethylcarbamate;hydroxylamine
CID 21286916
2-phenylpropan-2-yl carbamate;triazine
CID 175317110
tert-butyl N-[2-(2-phenylpropan-2-ylamino)ethyl]carbamate
CID 10891197
benzyl ethylcarbamoyl carbonate
CID 174255630
[(E)-1-phenylethylideneamino] N-ethylcarbamate
CID 121217910

Frequently Asked Questions

What is the IUPAC name of [carbamoyloxy(diphenyl)methyl] N-ethylcarbamate?
The IUPAC name of [carbamoyloxy(diphenyl)methyl] N-ethylcarbamate (CID 164942360) is [carbamoyloxy(diphenyl)methyl] N-ethylcarbamate.
What is the SMILES notation for [carbamoyloxy(diphenyl)methyl] N-ethylcarbamate?
The canonical SMILES for [carbamoyloxy(diphenyl)methyl] N-ethylcarbamate is CCNC(=O)OC(OC(N)=O)(c1ccccc1)c1ccccc1.
What is the InChIKey of [carbamoyloxy(diphenyl)methyl] N-ethylcarbamate?
The InChIKey is KRBPFASSKOIUCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O4/c1-2-19-16(21)23-17(22-15(18)20,13-9-5-3-6-10-13)14-11-7-4-8-12-14/h3-12H,2H2,1H3,(H2,18,20)(H,19,21).
What are the key properties of [carbamoyloxy(diphenyl)methyl] N-ethylcarbamate?
[carbamoyloxy(diphenyl)methyl] N-ethylcarbamate has a molecular weight of 314.34 g/mol, XLogP of 2.73, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [carbamoyloxy(diphenyl)methyl] N-ethylcarbamate is sourced from PubChem (CID 164942360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).