benzyl N-[2-[5-(propan-2-ylcarbamoyl)-1H-indol-3-yl]ethyl]carbamate

C22H25N3O3 — CID 131712085

IUPACbenzyl N-[2-[5-(propan-2-ylcarbamoyl)-1H-indol-3-yl]ethyl]carbamate
SMILESCC(C)NC(=O)c1ccc2[nH]cc(CCNC(=O)OCc3ccccc3)c2c1
InChIInChI=1S/C22H25N3O3/c1-15(2)25-21(26)17-8-9-20-19(12-17)18(13-24-20)10-11-23-22(27)28-14-16-6-4-3-5-7-16/h3-9,12-13,15,24H,10-11,14H2,1-2H3,(H,23,27)(H,25,26)
InChIKeyOLMOYTMJQGGCQU-UHFFFAOYSA-N
MW379.46 g/mol
LogP3.78
Rot. Bonds7

About benzyl N-[2-[5-(propan-2-ylcarbamoyl)-1H-indol-3-yl]ethyl]carbamate

benzyl N-[2-[5-(propan-2-ylcarbamoyl)-1H-indol-3-yl]ethyl]carbamate (PubChem CID 131712085) has the molecular formula C22H25N3O3 and a molecular weight of 379.46 g/mol. Its IUPAC name is benzyl N-[2-[5-(propan-2-ylcarbamoyl)-1H-indol-3-yl]ethyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[2-[5-(propan-2-ylcarbamoyl)-1H-indol-3-yl]ethyl]carbamate
PubChem CID131712085
Molecular FormulaC22H25N3O3
Molecular Weight379.46 g/mol
Exact Mass379.19
IUPAC Namebenzyl N-[2-[5-(propan-2-ylcarbamoyl)-1H-indol-3-yl]ethyl]carbamate
SMILESCC(C)NC(=O)c1ccc2[nH]cc(CCNC(=O)OCc3ccccc3)c2c1
InChIInChI=1S/C22H25N3O3/c1-15(2)25-21(26)17-8-9-20-19(12-17)18(13-24-20)10-11-23-22(27)28-14-16-6-4-3-5-7-16/h3-9,12-13,15,24H,10-11,14H2,1-2H3,(H,23,27)(H,25,26)
InChIKeyOLMOYTMJQGGCQU-UHFFFAOYSA-N
XLogP3.78
TPSA83.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 53.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-(phenylmethoxycarbonylamino)ethyl]-1H-indole-5-sulfonic acid
CID 163199434
benzyl N-[2-[5-(methylsulfamoylmethyl)-1H-indol-3-yl]ethyl]carbamate
CID 14555103
benzyl N-[2-(5-sulfooxy-1H-indol-3-yl)ethyl]carbamate
CID 71313888
(3-methylphenyl)methyl N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]carbamate
CID 6734996
benzyl N-[(2S)-1-[2-(1H-indol-3-yl)ethylamino]-1-oxohexan-2-yl]carbamate
CID 178135953
[3-[2-(tritylamino)ethyl]-1H-indol-5-yl] 2-(phenylmethoxycarbonylamino)propanoate
CID 3849199
[(2S)-3-(1H-indol-3-yl)-1-oxo-1-[2-(phenylmethoxycarbonylamino)ethylamino]propan-2-yl]azanium chloride
CID 10788093
5-methyl-N-[2-(5-phenylmethoxy-1H-indol-3-yl)ethyl]-2-propan-2-ylbenzamide
CID 70697319
N-[2-(1H-indol-3-yl)ethyl]-N'-propan-2-yloxamide
CID 2026350
benzyl N-[3-(1H-indol-3-yl)-1-[2-[[3-(1H-indol-3-yl)-2-(phenylmethoxycarbonylamino)propanoyl]amino]ethylamino]-1-oxopropan-2-yl]carbamate
CID 67400051
N-[2-(1H-indol-3-yl)ethyl]-3-(methoxymethyl)benzamide
CID 51200340
N-[1-[2-(1H-indol-3-yl)ethylamino]-1-oxo-3-phenylpropan-2-yl]benzamide
CID 4879415

Frequently Asked Questions

What is the IUPAC name of benzyl N-[2-[5-(propan-2-ylcarbamoyl)-1H-indol-3-yl]ethyl]carbamate?
The IUPAC name of benzyl N-[2-[5-(propan-2-ylcarbamoyl)-1H-indol-3-yl]ethyl]carbamate (CID 131712085) is benzyl N-[2-[5-(propan-2-ylcarbamoyl)-1H-indol-3-yl]ethyl]carbamate.
What is the SMILES notation for benzyl N-[2-[5-(propan-2-ylcarbamoyl)-1H-indol-3-yl]ethyl]carbamate?
The canonical SMILES for benzyl N-[2-[5-(propan-2-ylcarbamoyl)-1H-indol-3-yl]ethyl]carbamate is CC(C)NC(=O)c1ccc2[nH]cc(CCNC(=O)OCc3ccccc3)c2c1.
What is the InChIKey of benzyl N-[2-[5-(propan-2-ylcarbamoyl)-1H-indol-3-yl]ethyl]carbamate?
The InChIKey is OLMOYTMJQGGCQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O3/c1-15(2)25-21(26)17-8-9-20-19(12-17)18(13-24-20)10-11-23-22(27)28-14-16-6-4-3-5-7-16/h3-9,12-13,15,24H,10-11,14H2,1-2H3,(H,23,27)(H,25,26).
What are the key properties of benzyl N-[2-[5-(propan-2-ylcarbamoyl)-1H-indol-3-yl]ethyl]carbamate?
benzyl N-[2-[5-(propan-2-ylcarbamoyl)-1H-indol-3-yl]ethyl]carbamate has a molecular weight of 379.46 g/mol, XLogP of 3.78, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[2-[5-(propan-2-ylcarbamoyl)-1H-indol-3-yl]ethyl]carbamate is sourced from PubChem (CID 131712085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).