[6-(benzhydrylideneamino)-1,2,3,4-tetrahydronaphthalen-2-yl] carbamate

C24H22N2O2 — CID 151084605

IUPAC[6-(benzhydrylideneamino)-1,2,3,4-tetrahydronaphthalen-2-yl] carbamate
SMILESNC(=O)OC1CCc2cc(N=C(c3ccccc3)c3ccccc3)ccc2C1
InChIInChI=1S/C24H22N2O2/c25-24(27)28-22-14-12-19-15-21(13-11-20(19)16-22)26-23(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-11,13,15,22H,12,14,16H2,(H2,25,27)
InChIKeyMKVOXRCYYHTJDZ-UHFFFAOYSA-N
MW370.45 g/mol
LogP4.81
Rot. Bonds4

About [6-(benzhydrylideneamino)-1,2,3,4-tetrahydronaphthalen-2-yl] carbamate

[6-(benzhydrylideneamino)-1,2,3,4-tetrahydronaphthalen-2-yl] carbamate (PubChem CID 151084605) has the molecular formula C24H22N2O2 and a molecular weight of 370.45 g/mol. Its IUPAC name is [6-(benzhydrylideneamino)-1,2,3,4-tetrahydronaphthalen-2-yl] carbamate.

Molecular Properties

Compound Name[6-(benzhydrylideneamino)-1,2,3,4-tetrahydronaphthalen-2-yl] carbamate
PubChem CID151084605
Molecular FormulaC24H22N2O2
Molecular Weight370.45 g/mol
Exact Mass370.17
IUPAC Name[6-(benzhydrylideneamino)-1,2,3,4-tetrahydronaphthalen-2-yl] carbamate
SMILESNC(=O)OC1CCc2cc(N=C(c3ccccc3)c3ccccc3)ccc2C1
InChIInChI=1S/C24H22N2O2/c25-24(27)28-22-14-12-19-15-21(13-11-20(19)16-22)26-23(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-11,13,15,22H,12,14,16H2,(H2,25,27)
InChIKeyMKVOXRCYYHTJDZ-UHFFFAOYSA-N
XLogP4.81
TPSA64.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [6-(benzhydrylideneamino)-1,2,3,4-tetrahydronaphthalen-2-yl] carbamate?
The IUPAC name of [6-(benzhydrylideneamino)-1,2,3,4-tetrahydronaphthalen-2-yl] carbamate (CID 151084605) is [6-(benzhydrylideneamino)-1,2,3,4-tetrahydronaphthalen-2-yl] carbamate.
What is the SMILES notation for [6-(benzhydrylideneamino)-1,2,3,4-tetrahydronaphthalen-2-yl] carbamate?
The canonical SMILES for [6-(benzhydrylideneamino)-1,2,3,4-tetrahydronaphthalen-2-yl] carbamate is NC(=O)OC1CCc2cc(N=C(c3ccccc3)c3ccccc3)ccc2C1.
What is the InChIKey of [6-(benzhydrylideneamino)-1,2,3,4-tetrahydronaphthalen-2-yl] carbamate?
The InChIKey is MKVOXRCYYHTJDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O2/c25-24(27)28-22-14-12-19-15-21(13-11-20(19)16-22)26-23(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-11,13,15,22H,12,14,16H2,(H2,25,27).
What are the key properties of [6-(benzhydrylideneamino)-1,2,3,4-tetrahydronaphthalen-2-yl] carbamate?
[6-(benzhydrylideneamino)-1,2,3,4-tetrahydronaphthalen-2-yl] carbamate has a molecular weight of 370.45 g/mol, XLogP of 4.81, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(benzhydrylideneamino)-1,2,3,4-tetrahydronaphthalen-2-yl] carbamate is sourced from PubChem (CID 151084605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).