(1-benzyl-2,3-dihydroindol-5-yl) N-[(4-methoxyphenyl)methyl]carbamate

C24H24N2O3 — CID 86659867

IUPAC(1-benzyl-2,3-dihydroindol-5-yl) N-[(4-methoxyphenyl)methyl]carbamate
SMILESCOc1ccc(CNC(=O)Oc2ccc3c(c2)CCN3Cc2ccccc2)cc1
InChIInChI=1S/C24H24N2O3/c1-28-21-9-7-18(8-10-21)16-25-24(27)29-22-11-12-23-20(15-22)13-14-26(23)17-19-5-3-2-4-6-19/h2-12,15H,13-14,16-17H2,1H3,(H,25,27)
InChIKeyVCSKCSGPCKYRPD-UHFFFAOYSA-N
MW388.47 g/mol
LogP4.55
Rot. Bonds6

About (1-benzyl-2,3-dihydroindol-5-yl) N-[(4-methoxyphenyl)methyl]carbamate

(1-benzyl-2,3-dihydroindol-5-yl) N-[(4-methoxyphenyl)methyl]carbamate (PubChem CID 86659867) has the molecular formula C24H24N2O3 and a molecular weight of 388.47 g/mol. Its IUPAC name is (1-benzyl-2,3-dihydroindol-5-yl) N-[(4-methoxyphenyl)methyl]carbamate.

Molecular Properties

Compound Name(1-benzyl-2,3-dihydroindol-5-yl) N-[(4-methoxyphenyl)methyl]carbamate
PubChem CID86659867
Molecular FormulaC24H24N2O3
Molecular Weight388.47 g/mol
Exact Mass388.18
IUPAC Name(1-benzyl-2,3-dihydroindol-5-yl) N-[(4-methoxyphenyl)methyl]carbamate
SMILESCOc1ccc(CNC(=O)Oc2ccc3c(c2)CCN3Cc2ccccc2)cc1
InChIInChI=1S/C24H24N2O3/c1-28-21-9-7-18(8-10-21)16-25-24(27)29-22-11-12-23-20(15-22)13-14-26(23)17-19-5-3-2-4-6-19/h2-12,15H,13-14,16-17H2,1H3,(H,25,27)
InChIKeyVCSKCSGPCKYRPD-UHFFFAOYSA-N
XLogP4.55
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1-benzyl-2,3-dihydroindol-5-yl) N-propylcarbamate
CID 46865060
(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-benzyl-3,3-dimethyl-2H-indol-5-yl) N-benzylcarbamate
CID 86659914
4-(2,3-dihydroindol-1-ylmethyl)-N-[3-(4-methoxyphenyl)propyl]benzamide
CID 43910261
(3-formamidophenyl) N-[(4-methoxyphenyl)methyl]carbamate
CID 88846842
(4-methylphenyl) N-benzylcarbamate
CID 14292552
N-[[4-(2,3-dihydroindol-1-ylmethyl)phenyl]methyl]-2-propan-2-ylsulfonylpropanamide
CID 55965309
N-benzyl-1-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 46109695
1-(1-benzyl-2,3-dihydroindol-5-yl)-2-hydroxyethanone
CID 58460267
methyl 4-(2,3-dihydroindol-1-ylmethyl)benzoate
CID 6473082

Frequently Asked Questions

What is the IUPAC name of (1-benzyl-2,3-dihydroindol-5-yl) N-[(4-methoxyphenyl)methyl]carbamate?
The IUPAC name of (1-benzyl-2,3-dihydroindol-5-yl) N-[(4-methoxyphenyl)methyl]carbamate (CID 86659867) is (1-benzyl-2,3-dihydroindol-5-yl) N-[(4-methoxyphenyl)methyl]carbamate.
What is the SMILES notation for (1-benzyl-2,3-dihydroindol-5-yl) N-[(4-methoxyphenyl)methyl]carbamate?
The canonical SMILES for (1-benzyl-2,3-dihydroindol-5-yl) N-[(4-methoxyphenyl)methyl]carbamate is COc1ccc(CNC(=O)Oc2ccc3c(c2)CCN3Cc2ccccc2)cc1.
What is the InChIKey of (1-benzyl-2,3-dihydroindol-5-yl) N-[(4-methoxyphenyl)methyl]carbamate?
The InChIKey is VCSKCSGPCKYRPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O3/c1-28-21-9-7-18(8-10-21)16-25-24(27)29-22-11-12-23-20(15-22)13-14-26(23)17-19-5-3-2-4-6-19/h2-12,15H,13-14,16-17H2,1H3,(H,25,27).
What are the key properties of (1-benzyl-2,3-dihydroindol-5-yl) N-[(4-methoxyphenyl)methyl]carbamate?
(1-benzyl-2,3-dihydroindol-5-yl) N-[(4-methoxyphenyl)methyl]carbamate has a molecular weight of 388.47 g/mol, XLogP of 4.55, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-benzyl-2,3-dihydroindol-5-yl) N-[(4-methoxyphenyl)methyl]carbamate is sourced from PubChem (CID 86659867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).