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

C19H22N2O2 — CID 46865060

IUPAC(1-benzyl-2,3-dihydroindol-5-yl) N-propylcarbamate
SMILESCCCNC(=O)Oc1ccc2c(c1)CCN2Cc1ccccc1
InChIInChI=1S/C19H22N2O2/c1-2-11-20-19(22)23-17-8-9-18-16(13-17)10-12-21(18)14-15-6-4-3-5-7-15/h3-9,13H,2,10-12,14H2,1H3,(H,20,22)
InChIKeyFOQPIMDZXXCPMO-UHFFFAOYSA-N
MW310.40 g/mol
LogP3.75
Rot. Bonds5

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

(1-benzyl-2,3-dihydroindol-5-yl) N-propylcarbamate (PubChem CID 46865060) has the molecular formula C19H22N2O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is (1-benzyl-2,3-dihydroindol-5-yl) N-propylcarbamate.

Molecular Properties

Compound Name(1-benzyl-2,3-dihydroindol-5-yl) N-propylcarbamate
PubChem CID46865060
Molecular FormulaC19H22N2O2
Molecular Weight310.40 g/mol
Exact Mass310.17
IUPAC Name(1-benzyl-2,3-dihydroindol-5-yl) N-propylcarbamate
SMILESCCCNC(=O)Oc1ccc2c(c1)CCN2Cc1ccccc1
InChIInChI=1S/C19H22N2O2/c1-2-11-20-19(22)23-17-8-9-18-16(13-17)10-12-21(18)14-15-6-4-3-5-7-15/h3-9,13H,2,10-12,14H2,1H3,(H,20,22)
InChIKeyFOQPIMDZXXCPMO-UHFFFAOYSA-N
XLogP3.75
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1-benzyl-2,3-dihydroindol-5-yl) N-[(4-methoxyphenyl)methyl]carbamate
CID 86659867
(1-benzyl-2,3-dihydroindol-5-yl) N-cyclooctylcarbamate
CID 46866348
(1-benzyl-2,3-dihydroindol-5-yl) N-(4-phenylphenyl)carbamate
CID 86659871
(1-benzyl-2,3-dihydroindol-5-yl) N-(1,2,3,4-tetrahydronaphthalen-2-yl)carbamate
CID 46866660
1-(1-benzyl-2,3-dihydroindol-5-yl)-2-hydroxyethanone
CID 58460267
1-benzyl-5-chloro-2,3-dihydroindole
CID 12733465
(1-benzyl-3,3-dimethyl-2H-indol-5-yl) N-benzylcarbamate
CID 86659914
(3,5-diphenylphenyl) N-propylcarbamate
CID 44572187
(1-benzyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b]quinazolin-8-yl) N-heptylcarbamate
CID 118710738
3-fluoro-4-[[1-[(4-phenoxyphenyl)methyl]-2,3-dihydroindol-5-yl]oxy]benzoic acid
CID 10671452
2,2,2-trifluoroethyl 1-benzyl-2,3-dihydroindole-5-carboxylate
CID 156703137
1-hydroxy-3-methyl-1-[1-[(3-phenoxyphenyl)methyl]-2,3-dihydroindol-5-yl]urea
CID 151395659

Frequently Asked Questions

What is the IUPAC name of (1-benzyl-2,3-dihydroindol-5-yl) N-propylcarbamate?
The IUPAC name of (1-benzyl-2,3-dihydroindol-5-yl) N-propylcarbamate (CID 46865060) is (1-benzyl-2,3-dihydroindol-5-yl) N-propylcarbamate.
What is the SMILES notation for (1-benzyl-2,3-dihydroindol-5-yl) N-propylcarbamate?
The canonical SMILES for (1-benzyl-2,3-dihydroindol-5-yl) N-propylcarbamate is CCCNC(=O)Oc1ccc2c(c1)CCN2Cc1ccccc1.
What is the InChIKey of (1-benzyl-2,3-dihydroindol-5-yl) N-propylcarbamate?
The InChIKey is FOQPIMDZXXCPMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2/c1-2-11-20-19(22)23-17-8-9-18-16(13-17)10-12-21(18)14-15-6-4-3-5-7-15/h3-9,13H,2,10-12,14H2,1H3,(H,20,22).
What are the key properties of (1-benzyl-2,3-dihydroindol-5-yl) N-propylcarbamate?
(1-benzyl-2,3-dihydroindol-5-yl) N-propylcarbamate has a molecular weight of 310.40 g/mol, XLogP of 3.75, 5 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-propylcarbamate is sourced from PubChem (CID 46865060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).