N-[3-[2-(1H-indol-3-yl)ethylcarbamoylamino]-4-methoxyphenyl]acetamide

C20H22N4O3 — CID 55695694

IUPACN-[3-[2-(1H-indol-3-yl)ethylcarbamoylamino]-4-methoxyphenyl]acetamide
SMILESCOc1ccc(NC(C)=O)cc1NC(=O)NCCc1c[nH]c2ccccc12
InChIInChI=1S/C20H22N4O3/c1-13(25)23-15-7-8-19(27-2)18(11-15)24-20(26)21-10-9-14-12-22-17-6-4-3-5-16(14)17/h3-8,11-12,22H,9-10H2,1-2H3,(H,23,25)(H2,21,24,26)
InChIKeyXKPNWSKMXLVLHR-UHFFFAOYSA-N
MW366.42 g/mol
LogP3.50
Rot. Bonds6

About N-[3-[2-(1H-indol-3-yl)ethylcarbamoylamino]-4-methoxyphenyl]acetamide

N-[3-[2-(1H-indol-3-yl)ethylcarbamoylamino]-4-methoxyphenyl]acetamide (PubChem CID 55695694) has the molecular formula C20H22N4O3 and a molecular weight of 366.42 g/mol. Its IUPAC name is N-[3-[2-(1H-indol-3-yl)ethylcarbamoylamino]-4-methoxyphenyl]acetamide.

Molecular Properties

Compound NameN-[3-[2-(1H-indol-3-yl)ethylcarbamoylamino]-4-methoxyphenyl]acetamide
PubChem CID55695694
Molecular FormulaC20H22N4O3
Molecular Weight366.42 g/mol
Exact Mass366.17
IUPAC NameN-[3-[2-(1H-indol-3-yl)ethylcarbamoylamino]-4-methoxyphenyl]acetamide
SMILESCOc1ccc(NC(C)=O)cc1NC(=O)NCCc1c[nH]c2ccccc12
InChIInChI=1S/C20H22N4O3/c1-13(25)23-15-7-8-19(27-2)18(11-15)24-20(26)21-10-9-14-12-22-17-6-4-3-5-16(14)17/h3-8,11-12,22H,9-10H2,1-2H3,(H,23,25)(H2,21,24,26)
InChIKeyXKPNWSKMXLVLHR-UHFFFAOYSA-N
XLogP3.50
TPSA95.25 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 53.50
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-acetamido-2-methoxyphenyl)-3-(1H-indol-3-yl)propanamide
CID 42091850
1-[2-(1H-indol-3-yl)ethyl]-3-(2-methoxydibenzofuran-3-yl)urea
CID 4256084
[2-(5-acetamido-2-methoxyanilino)-2-oxoethyl] 4-(1H-indol-3-yl)butanoate
CID 9016765
methyl N-[3-[2-(1H-indol-3-yl)ethylcarbamoylamino]phenyl]carbamate
CID 51118943
1-(4-ethoxy-3-fluorophenyl)-3-[2-(1H-indol-3-yl)ethyl]urea
CID 166188124
N-(5-acetamido-2-methoxyphenyl)-2-(1H-indol-3-yl)-2-oxoacetamide
CID 7117383
1-[2-(1H-indol-3-yl)ethyl]-3-(2-methylphenyl)urea
CID 2238398
N-[2-(1H-indol-3-yl)ethyl]-N'-(2-methoxyphenyl)propanediamide
CID 108949616
N-(2,5-dimethoxyphenyl)-3-[2-(1H-indol-3-yl)ethylamino]propanamide
CID 109027566
N-[2-(1H-indol-3-yl)ethyl]-2-(2-methoxyphenyl)acetamide
CID 4796568
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(1H-indol-3-yl)urea
CID 7616000
1-[2-(1H-indol-3-yl)ethyl]-3-(3,4,5-trihydroxyphenyl)urea
CID 108871937

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(1H-indol-3-yl)ethylcarbamoylamino]-4-methoxyphenyl]acetamide?
The IUPAC name of N-[3-[2-(1H-indol-3-yl)ethylcarbamoylamino]-4-methoxyphenyl]acetamide (CID 55695694) is N-[3-[2-(1H-indol-3-yl)ethylcarbamoylamino]-4-methoxyphenyl]acetamide.
What is the SMILES notation for N-[3-[2-(1H-indol-3-yl)ethylcarbamoylamino]-4-methoxyphenyl]acetamide?
The canonical SMILES for N-[3-[2-(1H-indol-3-yl)ethylcarbamoylamino]-4-methoxyphenyl]acetamide is COc1ccc(NC(C)=O)cc1NC(=O)NCCc1c[nH]c2ccccc12.
What is the InChIKey of N-[3-[2-(1H-indol-3-yl)ethylcarbamoylamino]-4-methoxyphenyl]acetamide?
The InChIKey is XKPNWSKMXLVLHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O3/c1-13(25)23-15-7-8-19(27-2)18(11-15)24-20(26)21-10-9-14-12-22-17-6-4-3-5-16(14)17/h3-8,11-12,22H,9-10H2,1-2H3,(H,23,25)(H2,21,24,26).
What are the key properties of N-[3-[2-(1H-indol-3-yl)ethylcarbamoylamino]-4-methoxyphenyl]acetamide?
N-[3-[2-(1H-indol-3-yl)ethylcarbamoylamino]-4-methoxyphenyl]acetamide has a molecular weight of 366.42 g/mol, XLogP of 3.50, 6 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(1H-indol-3-yl)ethylcarbamoylamino]-4-methoxyphenyl]acetamide is sourced from PubChem (CID 55695694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).