(1-benzyl-2,3-dihydroindol-5-yl) N-(1,2,3,4-tetrahydronaphthalen-2-yl)carbamate

C26H26N2O2 — CID 46866660

IUPAC(1-benzyl-2,3-dihydroindol-5-yl) N-(1,2,3,4-tetrahydronaphthalen-2-yl)carbamate
SMILESO=C(NC1CCc2ccccc2C1)Oc1ccc2c(c1)CCN2Cc1ccccc1
InChIInChI=1S/C26H26N2O2/c29-26(27-23-11-10-20-8-4-5-9-21(20)16-23)30-24-12-13-25-22(17-24)14-15-28(25)18-19-6-2-1-3-7-19/h1-9,12-13,17,23H,10-11,14-16,18H2,(H,27,29)
InChIKeyMFQULPXRCYGLFC-UHFFFAOYSA-N
MW398.51 g/mol
LogP4.90
Rot. Bonds4

About (1-benzyl-2,3-dihydroindol-5-yl) N-(1,2,3,4-tetrahydronaphthalen-2-yl)carbamate

(1-benzyl-2,3-dihydroindol-5-yl) N-(1,2,3,4-tetrahydronaphthalen-2-yl)carbamate (PubChem CID 46866660) has the molecular formula C26H26N2O2 and a molecular weight of 398.51 g/mol. Its IUPAC name is (1-benzyl-2,3-dihydroindol-5-yl) N-(1,2,3,4-tetrahydronaphthalen-2-yl)carbamate.

Molecular Properties

Compound Name(1-benzyl-2,3-dihydroindol-5-yl) N-(1,2,3,4-tetrahydronaphthalen-2-yl)carbamate
PubChem CID46866660
Molecular FormulaC26H26N2O2
Molecular Weight398.51 g/mol
Exact Mass398.20
IUPAC Name(1-benzyl-2,3-dihydroindol-5-yl) N-(1,2,3,4-tetrahydronaphthalen-2-yl)carbamate
SMILESO=C(NC1CCc2ccccc2C1)Oc1ccc2c(c1)CCN2Cc1ccccc1
InChIInChI=1S/C26H26N2O2/c29-26(27-23-11-10-20-8-4-5-9-21(20)16-23)30-24-12-13-25-22(17-24)14-15-28(25)18-19-6-2-1-3-7-19/h1-9,12-13,17,23H,10-11,14-16,18H2,(H,27,29)
InChIKeyMFQULPXRCYGLFC-UHFFFAOYSA-N
XLogP4.90
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.51
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1-benzyl-2,3-dihydroindol-5-yl) N-(1,2,3,4-tetrahydronaphthalen-2-yl)carbamate?
The IUPAC name of (1-benzyl-2,3-dihydroindol-5-yl) N-(1,2,3,4-tetrahydronaphthalen-2-yl)carbamate (CID 46866660) is (1-benzyl-2,3-dihydroindol-5-yl) N-(1,2,3,4-tetrahydronaphthalen-2-yl)carbamate.
What is the SMILES notation for (1-benzyl-2,3-dihydroindol-5-yl) N-(1,2,3,4-tetrahydronaphthalen-2-yl)carbamate?
The canonical SMILES for (1-benzyl-2,3-dihydroindol-5-yl) N-(1,2,3,4-tetrahydronaphthalen-2-yl)carbamate is O=C(NC1CCc2ccccc2C1)Oc1ccc2c(c1)CCN2Cc1ccccc1.
What is the InChIKey of (1-benzyl-2,3-dihydroindol-5-yl) N-(1,2,3,4-tetrahydronaphthalen-2-yl)carbamate?
The InChIKey is MFQULPXRCYGLFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N2O2/c29-26(27-23-11-10-20-8-4-5-9-21(20)16-23)30-24-12-13-25-22(17-24)14-15-28(25)18-19-6-2-1-3-7-19/h1-9,12-13,17,23H,10-11,14-16,18H2,(H,27,29).
What are the key properties of (1-benzyl-2,3-dihydroindol-5-yl) N-(1,2,3,4-tetrahydronaphthalen-2-yl)carbamate?
(1-benzyl-2,3-dihydroindol-5-yl) N-(1,2,3,4-tetrahydronaphthalen-2-yl)carbamate has a molecular weight of 398.51 g/mol, XLogP of 4.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-benzyl-2,3-dihydroindol-5-yl) N-(1,2,3,4-tetrahydronaphthalen-2-yl)carbamate is sourced from PubChem (CID 46866660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).