(1-benzyl-2,3-dihydroindol-5-yl) N-cyclooctylcarbamate

C24H30N2O2 — CID 46866348

IUPAC(1-benzyl-2,3-dihydroindol-5-yl) N-cyclooctylcarbamate
SMILESO=C(NC1CCCCCCC1)Oc1ccc2c(c1)CCN2Cc1ccccc1
InChIInChI=1S/C24H30N2O2/c27-24(25-21-11-7-2-1-3-8-12-21)28-22-13-14-23-20(17-22)15-16-26(23)18-19-9-5-4-6-10-19/h4-6,9-10,13-14,17,21H,1-3,7-8,11-12,15-16,18H2,(H,25,27)
InChIKeyFZVLIEKNJJHPSC-UHFFFAOYSA-N
MW378.52 g/mol
LogP5.45
Rot. Bonds4

About (1-benzyl-2,3-dihydroindol-5-yl) N-cyclooctylcarbamate

(1-benzyl-2,3-dihydroindol-5-yl) N-cyclooctylcarbamate (PubChem CID 46866348) has the molecular formula C24H30N2O2 and a molecular weight of 378.52 g/mol. Its IUPAC name is (1-benzyl-2,3-dihydroindol-5-yl) N-cyclooctylcarbamate.

Molecular Properties

Compound Name(1-benzyl-2,3-dihydroindol-5-yl) N-cyclooctylcarbamate
PubChem CID46866348
Molecular FormulaC24H30N2O2
Molecular Weight378.52 g/mol
Exact Mass378.23
IUPAC Name(1-benzyl-2,3-dihydroindol-5-yl) N-cyclooctylcarbamate
SMILESO=C(NC1CCCCCCC1)Oc1ccc2c(c1)CCN2Cc1ccccc1
InChIInChI=1S/C24H30N2O2/c27-24(25-21-11-7-2-1-3-8-12-21)28-22-13-14-23-20(17-22)15-16-26(23)18-19-9-5-4-6-10-19/h4-6,9-10,13-14,17,21H,1-3,7-8,11-12,15-16,18H2,(H,25,27)
InChIKeyFZVLIEKNJJHPSC-UHFFFAOYSA-N
XLogP5.45
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.52
LogP ≤ 55.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1-benzyl-2,3-dihydroindol-5-yl) N-(1,2,3,4-tetrahydronaphthalen-2-yl)carbamate
CID 46866660
(1-benzyl-2,3-dihydroindol-5-yl) N-propylcarbamate
CID 46865060
(1-benzyl-2,3-dihydroindol-5-yl) N-(4-phenylphenyl)carbamate
CID 86659871
(1-benzyl-2,3-dihydroindol-5-yl) N-[(4-methoxyphenyl)methyl]carbamate
CID 86659867
phenyl N-cyclooctylcarbamate
CID 60636968
phenyl N-cyclopentylcarbamate
CID 12791466
(3-phenylphenyl) N-cyclopentylcarbamate
CID 24881674
N-(1-benzyl-2,3-dihydroindol-6-yl)cyclohexanecarboxamide
CID 142743440
1-(1-benzyl-2,3-dihydroindol-5-yl)-2-hydroxyethanone
CID 58460267
N-cyclopentyl-4-(3,4-dihydro-2H-quinolin-1-ylmethyl)benzamide
CID 92646298
1-benzyl-5-chloro-2,3-dihydroindole
CID 12733465
(6-ethylnaphthalen-2-yl) N-cyclohexylcarbamate
CID 11098519

Frequently Asked Questions

What is the IUPAC name of (1-benzyl-2,3-dihydroindol-5-yl) N-cyclooctylcarbamate?
The IUPAC name of (1-benzyl-2,3-dihydroindol-5-yl) N-cyclooctylcarbamate (CID 46866348) is (1-benzyl-2,3-dihydroindol-5-yl) N-cyclooctylcarbamate.
What is the SMILES notation for (1-benzyl-2,3-dihydroindol-5-yl) N-cyclooctylcarbamate?
The canonical SMILES for (1-benzyl-2,3-dihydroindol-5-yl) N-cyclooctylcarbamate is O=C(NC1CCCCCCC1)Oc1ccc2c(c1)CCN2Cc1ccccc1.
What is the InChIKey of (1-benzyl-2,3-dihydroindol-5-yl) N-cyclooctylcarbamate?
The InChIKey is FZVLIEKNJJHPSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O2/c27-24(25-21-11-7-2-1-3-8-12-21)28-22-13-14-23-20(17-22)15-16-26(23)18-19-9-5-4-6-10-19/h4-6,9-10,13-14,17,21H,1-3,7-8,11-12,15-16,18H2,(H,25,27).
What are the key properties of (1-benzyl-2,3-dihydroindol-5-yl) N-cyclooctylcarbamate?
(1-benzyl-2,3-dihydroindol-5-yl) N-cyclooctylcarbamate has a molecular weight of 378.52 g/mol, XLogP of 5.45, 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-cyclooctylcarbamate is sourced from PubChem (CID 46866348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).