[2-(phenylcarbamoyloxy)-3-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propyl] N-phenylcarbamate

C27H28N2O5 — CID 24843342

IUPAC[2-(phenylcarbamoyloxy)-3-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propyl] N-phenylcarbamate
SMILESO=C(Nc1ccccc1)OCC(COc1ccc2c(c1)CCCC2)OC(=O)Nc1ccccc1
InChIInChI=1S/C27H28N2O5/c30-26(28-22-11-3-1-4-12-22)33-19-25(34-27(31)29-23-13-5-2-6-14-23)18-32-24-16-15-20-9-7-8-10-21(20)17-24/h1-6,11-17,25H,7-10,18-19H2,(H,28,30)(H,29,31)
InChIKeyIHPVFXCSLDRODD-UHFFFAOYSA-N
MW460.53 g/mol
LogP5.81
Rot. Bonds8

About [2-(phenylcarbamoyloxy)-3-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propyl] N-phenylcarbamate

[2-(phenylcarbamoyloxy)-3-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propyl] N-phenylcarbamate (PubChem CID 24843342) has the molecular formula C27H28N2O5 and a molecular weight of 460.53 g/mol. Its IUPAC name is [2-(phenylcarbamoyloxy)-3-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propyl] N-phenylcarbamate.

Molecular Properties

Compound Name[2-(phenylcarbamoyloxy)-3-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propyl] N-phenylcarbamate
PubChem CID24843342
Molecular FormulaC27H28N2O5
Molecular Weight460.53 g/mol
Exact Mass460.20
IUPAC Name[2-(phenylcarbamoyloxy)-3-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propyl] N-phenylcarbamate
SMILESO=C(Nc1ccccc1)OCC(COc1ccc2c(c1)CCCC2)OC(=O)Nc1ccccc1
InChIInChI=1S/C27H28N2O5/c30-26(28-22-11-3-1-4-12-22)33-19-25(34-27(31)29-23-13-5-2-6-14-23)18-32-24-16-15-20-9-7-8-10-21(20)17-24/h1-6,11-17,25H,7-10,18-19H2,(H,28,30)(H,29,31)
InChIKeyIHPVFXCSLDRODD-UHFFFAOYSA-N
XLogP5.81
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.53
LogP ≤ 55.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[2-hydroxy-3-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propyl] N-phenylcarbamate
CID 24843340
[(2R)-3-hexadecoxy-2-(phenylcarbamoyloxy)propyl] N-phenylcarbamate
CID 71586856
N-(1-phenoxypropan-2-yl)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)acetamide
CID 133184211
[1-(3-methylbuta-1,3-dien-2-yloxy)-3-phenoxypropan-2-yl] N-[4-[[4-[[1-(3-methylbuta-1,3-dien-2-yloxy)-3-phenoxypropan-2-yl]oxycarbonylamino]phenyl]methyl]phenyl]carbamate
CID 89215929
3,5-bis(phenylcarbamoyloxy)pentyl N-phenylcarbamate
CID 20688817
[(2S)-3-(2-methylphenoxy)-2-[(4-methylphenyl)carbamoyloxy]propyl] N-(4-methylphenyl)carbamate
CID 92836608
[(2S)-1-chloro-3-phenoxypropan-2-yl] N-(4-chlorophenyl)carbamate
CID 27161633
[2-(3-chloroanilino)-2-oxoethyl] 2-(2,3-dihydro-1H-inden-5-yloxy)acetate
CID 4803026
(2-amino-2-oxo-1-phenylethyl) 2-(2,3-dihydro-1H-inden-5-yloxy)acetate
CID 16592345
[3-(1-hydroxy-2-methylprop-2-enoxy)-2-(phenylcarbamoyloxy)propyl] 2-methylprop-2-enoate
CID 89196005
3-(2,3-dihydro-1H-inden-5-yloxy)-2-ethoxypropanoic acid
CID 63072782
2-[4-(2,3-dihydro-1H-inden-5-yloxymethyl)triazol-1-yl]-N-phenylacetamide
CID 162648543

Frequently Asked Questions

What is the IUPAC name of [2-(phenylcarbamoyloxy)-3-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propyl] N-phenylcarbamate?
The IUPAC name of [2-(phenylcarbamoyloxy)-3-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propyl] N-phenylcarbamate (CID 24843342) is [2-(phenylcarbamoyloxy)-3-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propyl] N-phenylcarbamate.
What is the SMILES notation for [2-(phenylcarbamoyloxy)-3-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propyl] N-phenylcarbamate?
The canonical SMILES for [2-(phenylcarbamoyloxy)-3-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propyl] N-phenylcarbamate is O=C(Nc1ccccc1)OCC(COc1ccc2c(c1)CCCC2)OC(=O)Nc1ccccc1.
What is the InChIKey of [2-(phenylcarbamoyloxy)-3-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propyl] N-phenylcarbamate?
The InChIKey is IHPVFXCSLDRODD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N2O5/c30-26(28-22-11-3-1-4-12-22)33-19-25(34-27(31)29-23-13-5-2-6-14-23)18-32-24-16-15-20-9-7-8-10-21(20)17-24/h1-6,11-17,25H,7-10,18-19H2,(H,28,30)(H,29,31).
What are the key properties of [2-(phenylcarbamoyloxy)-3-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propyl] N-phenylcarbamate?
[2-(phenylcarbamoyloxy)-3-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propyl] N-phenylcarbamate has a molecular weight of 460.53 g/mol, XLogP of 5.81, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(phenylcarbamoyloxy)-3-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propyl] N-phenylcarbamate is sourced from PubChem (CID 24843342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).