benzyl N-[1H-indol-3-yl-(4-methoxyphenyl)methyl]carbamate

C24H22N2O3 — CID 71745835

IUPACbenzyl N-[1H-indol-3-yl-(4-methoxyphenyl)methyl]carbamate
SMILESCOc1ccc(C(NC(=O)OCc2ccccc2)c2c[nH]c3ccccc23)cc1
InChIInChI=1S/C24H22N2O3/c1-28-19-13-11-18(12-14-19)23(21-15-25-22-10-6-5-9-20(21)22)26-24(27)29-16-17-7-3-2-4-8-17/h2-15,23,25H,16H2,1H3,(H,26,27)
InChIKeyNSBTZHPCZNRYPV-UHFFFAOYSA-N
MW386.45 g/mol
LogP5.19
Rot. Bonds6

About benzyl N-[1H-indol-3-yl-(4-methoxyphenyl)methyl]carbamate

benzyl N-[1H-indol-3-yl-(4-methoxyphenyl)methyl]carbamate (PubChem CID 71745835) has the molecular formula C24H22N2O3 and a molecular weight of 386.45 g/mol. Its IUPAC name is benzyl N-[1H-indol-3-yl-(4-methoxyphenyl)methyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[1H-indol-3-yl-(4-methoxyphenyl)methyl]carbamate
PubChem CID71745835
Molecular FormulaC24H22N2O3
Molecular Weight386.45 g/mol
Exact Mass386.16
IUPAC Namebenzyl N-[1H-indol-3-yl-(4-methoxyphenyl)methyl]carbamate
SMILESCOc1ccc(C(NC(=O)OCc2ccccc2)c2c[nH]c3ccccc23)cc1
InChIInChI=1S/C24H22N2O3/c1-28-19-13-11-18(12-14-19)23(21-15-25-22-10-6-5-9-20(21)22)26-24(27)29-16-17-7-3-2-4-8-17/h2-15,23,25H,16H2,1H3,(H,26,27)
InChIKeyNSBTZHPCZNRYPV-UHFFFAOYSA-N
XLogP5.19
TPSA63.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.45
LogP ≤ 55.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

benzyl N-[furan-3-yl(1H-indol-3-yl)methyl]carbamate
CID 71745838
benzyl N-[(6-fluoro-1H-indol-3-yl)-phenylmethyl]carbamate
CID 71746186
benzyl N-[1-(1H-indol-3-yl)-3-methylbutyl]carbamate
CID 71746013
(3R)-3-(1H-indol-3-yl)-3-(phenylmethoxycarbonylamino)propanoic acid
CID 34177615
benzyl N-[(2R)-3-(1H-indol-3-yl)-1-[1-(4-methoxyphenyl)ethylamino]-2-methyl-1-oxopropan-2-yl]carbamate
CID 54398471
benzyl N-[1-(1H-indol-3-yl)pentyl]carbamate
CID 71745840
benzyl N-[(2S)-3-(1H-indol-3-yl)-1-[(4-methoxyphenyl)methyl-methylamino]-1-oxopropan-2-yl]carbamate
CID 24547191
N-[(2S)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]propanamide
CID 31216063
benzyl N-[(2S)-2,3-dihydroxy-1-(4-methoxyphenyl)propyl]carbamate
CID 126575938
N-[(2S)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]furan-2-carboxamide
CID 2459996
2-amino-N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]pentanamide
CID 119266811
diethyl 2-[1H-indol-3-yl-(4-methoxyphenyl)methyl]propanedioate
CID 102108904

Frequently Asked Questions

What is the IUPAC name of benzyl N-[1H-indol-3-yl-(4-methoxyphenyl)methyl]carbamate?
The IUPAC name of benzyl N-[1H-indol-3-yl-(4-methoxyphenyl)methyl]carbamate (CID 71745835) is benzyl N-[1H-indol-3-yl-(4-methoxyphenyl)methyl]carbamate.
What is the SMILES notation for benzyl N-[1H-indol-3-yl-(4-methoxyphenyl)methyl]carbamate?
The canonical SMILES for benzyl N-[1H-indol-3-yl-(4-methoxyphenyl)methyl]carbamate is COc1ccc(C(NC(=O)OCc2ccccc2)c2c[nH]c3ccccc23)cc1.
What is the InChIKey of benzyl N-[1H-indol-3-yl-(4-methoxyphenyl)methyl]carbamate?
The InChIKey is NSBTZHPCZNRYPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O3/c1-28-19-13-11-18(12-14-19)23(21-15-25-22-10-6-5-9-20(21)22)26-24(27)29-16-17-7-3-2-4-8-17/h2-15,23,25H,16H2,1H3,(H,26,27).
What are the key properties of benzyl N-[1H-indol-3-yl-(4-methoxyphenyl)methyl]carbamate?
benzyl N-[1H-indol-3-yl-(4-methoxyphenyl)methyl]carbamate has a molecular weight of 386.45 g/mol, XLogP of 5.19, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[1H-indol-3-yl-(4-methoxyphenyl)methyl]carbamate is sourced from PubChem (CID 71745835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).