methyl N-[3-[2-(1H-indol-3-yl)ethylcarbamoylamino]phenyl]carbamate

C19H20N4O3 — CID 51118943

IUPACmethyl N-[3-[2-(1H-indol-3-yl)ethylcarbamoylamino]phenyl]carbamate
SMILESCOC(=O)Nc1cccc(NC(=O)NCCc2c[nH]c3ccccc23)c1
InChIInChI=1S/C19H20N4O3/c1-26-19(25)23-15-6-4-5-14(11-15)22-18(24)20-10-9-13-12-21-17-8-3-2-7-16(13)17/h2-8,11-12,21H,9-10H2,1H3,(H,23,25)(H2,20,22,24)
InChIKeyIZQIQCWUIAJUNE-UHFFFAOYSA-N
MW352.39 g/mol
LogP3.71
Rot. Bonds5

About methyl N-[3-[2-(1H-indol-3-yl)ethylcarbamoylamino]phenyl]carbamate

methyl N-[3-[2-(1H-indol-3-yl)ethylcarbamoylamino]phenyl]carbamate (PubChem CID 51118943) has the molecular formula C19H20N4O3 and a molecular weight of 352.39 g/mol. Its IUPAC name is methyl N-[3-[2-(1H-indol-3-yl)ethylcarbamoylamino]phenyl]carbamate.

Molecular Properties

Compound Namemethyl N-[3-[2-(1H-indol-3-yl)ethylcarbamoylamino]phenyl]carbamate
PubChem CID51118943
Molecular FormulaC19H20N4O3
Molecular Weight352.39 g/mol
Exact Mass352.15
IUPAC Namemethyl N-[3-[2-(1H-indol-3-yl)ethylcarbamoylamino]phenyl]carbamate
SMILESCOC(=O)Nc1cccc(NC(=O)NCCc2c[nH]c3ccccc23)c1
InChIInChI=1S/C19H20N4O3/c1-26-19(25)23-15-6-4-5-14(11-15)22-18(24)20-10-9-13-12-21-17-8-3-2-7-16(13)17/h2-8,11-12,21H,9-10H2,1H3,(H,23,25)(H2,20,22,24)
InChIKeyIZQIQCWUIAJUNE-UHFFFAOYSA-N
XLogP3.71
TPSA95.25 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 53.71
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(1H-indol-3-yl)ethyl]-3-(3,4,5-trihydroxyphenyl)urea
CID 108871937
1-(3,5-dibromophenyl)-3-[2-(1H-indol-3-yl)ethyl]urea
CID 155514959
1-(3,5-difluorophenyl)-3-[2-(1H-indol-3-yl)ethyl]urea
CID 20757249
1-(4-ethoxy-3-fluorophenyl)-3-[2-(1H-indol-3-yl)ethyl]urea
CID 166188124
N-[3-[2-(1H-indol-3-yl)ethylcarbamoylamino]-4-methoxyphenyl]acetamide
CID 55695694
1-(2,3-dimethylquinoxalin-6-yl)-3-[2-(1H-indol-3-yl)ethyl]urea
CID 108885678
1-[2-(1H-indol-3-yl)ethyl]-3-(methoxymethyl)urea
CID 110675938
ethyl 4-[2-(1H-indol-3-yl)ethylcarbamoylamino]benzoate
CID 3294700
1-[2-(1H-indol-3-yl)ethyl]-3-(2-methylphenyl)urea
CID 2238398
1-[2-(1H-indol-3-yl)ethyl]-3-(4-sulfamoylphenyl)urea
CID 24650587
1-(cyanomethyl)-3-[2-(1H-indol-3-yl)ethyl]urea
CID 108864863
1-[2-(1H-indol-3-yl)ethyl]-3-[2-(3-methoxypropyl)-1,3-dioxoisoindol-5-yl]urea
CID 108873798

Frequently Asked Questions

What is the IUPAC name of methyl N-[3-[2-(1H-indol-3-yl)ethylcarbamoylamino]phenyl]carbamate?
The IUPAC name of methyl N-[3-[2-(1H-indol-3-yl)ethylcarbamoylamino]phenyl]carbamate (CID 51118943) is methyl N-[3-[2-(1H-indol-3-yl)ethylcarbamoylamino]phenyl]carbamate.
What is the SMILES notation for methyl N-[3-[2-(1H-indol-3-yl)ethylcarbamoylamino]phenyl]carbamate?
The canonical SMILES for methyl N-[3-[2-(1H-indol-3-yl)ethylcarbamoylamino]phenyl]carbamate is COC(=O)Nc1cccc(NC(=O)NCCc2c[nH]c3ccccc23)c1.
What is the InChIKey of methyl N-[3-[2-(1H-indol-3-yl)ethylcarbamoylamino]phenyl]carbamate?
The InChIKey is IZQIQCWUIAJUNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O3/c1-26-19(25)23-15-6-4-5-14(11-15)22-18(24)20-10-9-13-12-21-17-8-3-2-7-16(13)17/h2-8,11-12,21H,9-10H2,1H3,(H,23,25)(H2,20,22,24).
What are the key properties of methyl N-[3-[2-(1H-indol-3-yl)ethylcarbamoylamino]phenyl]carbamate?
methyl N-[3-[2-(1H-indol-3-yl)ethylcarbamoylamino]phenyl]carbamate has a molecular weight of 352.39 g/mol, XLogP of 3.71, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[3-[2-(1H-indol-3-yl)ethylcarbamoylamino]phenyl]carbamate is sourced from PubChem (CID 51118943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).