N-ethylaniline;N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide

C21H27N3O2 — CID 130246864

IUPACN-ethylaniline;N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide
SMILESCCNc1ccccc1.COc1ccc2[nH]cc(CCNC(C)=O)c2c1
InChIInChI=1S/C13H16N2O2.C8H11N/c1-9(16)14-6-5-10-8-15-13-4-3-11(17-2)7-12(10)13;1-2-9-8-6-4-3-5-7-8/h3-4,7-8,15H,5-6H2,1-2H3,(H,14,16);3-7,9H,2H2,1H3
InChIKeyZJRVNDFGAIQWHE-UHFFFAOYSA-N
MW353.47 g/mol
LogP3.97
Rot. Bonds6

About N-ethylaniline;N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide

N-ethylaniline;N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide (PubChem CID 130246864) has the molecular formula C21H27N3O2 and a molecular weight of 353.47 g/mol. Its IUPAC name is N-ethylaniline;N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide.

Molecular Properties

Compound NameN-ethylaniline;N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide
PubChem CID130246864
Molecular FormulaC21H27N3O2
Molecular Weight353.47 g/mol
Exact Mass353.21
IUPAC NameN-ethylaniline;N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide
SMILESCCNc1ccccc1.COc1ccc2[nH]cc(CCNC(C)=O)c2c1
InChIInChI=1S/C13H16N2O2.C8H11N/c1-9(16)14-6-5-10-8-15-13-4-3-11(17-2)7-12(10)13;1-2-9-8-6-4-3-5-7-8/h3-4,7-8,15H,5-6H2,1-2H3,(H,14,16);3-7,9H,2H2,1H3
InChIKeyZJRVNDFGAIQWHE-UHFFFAOYSA-N
XLogP3.97
TPSA66.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 53.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

potassium;N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide;hydroxide
CID 174776187
N-[2-(7-deuterio-5-methoxy-1H-indol-3-yl)ethyl]acetamide
CID 87897806
[(2S)-1-[2-(5-methoxy-1H-indol-3-yl)ethylamino]-1-oxopropan-2-yl] acetate
CID 51852107
3-(2-aminoethyl)-1H-indol-5-ol;N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide
CID 69014970
1-benzyl-3-[2-(5-methoxy-1H-indol-3-yl)ethyl]urea
CID 18947306
(4-phenylphenyl) N-[2-(5-methoxy-1H-indol-3-yl)ethyl]carbamate
CID 177382635
N-[(5-methoxy-1H-indol-3-yl)methyl]acetamide
CID 71554009
[3-(2-acetamidoethyl)-1H-indol-5-yl] (E)-3-phenylprop-2-enoate
CID 121289344
1-[2-(5-methoxy-1H-indol-3-yl)ethyl]-3-(2-phenylethyl)thiourea
CID 2972714
ethyl 3-[2-(5-methoxy-1H-indol-3-yl)ethylamino]-3-oxopropanoate
CID 18794243
icosa-2,4,6,8,10-pentaenoic acid;N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide
CID 87408458
[4-[2-(5-methoxy-1H-indol-3-yl)ethylcarbamoyl]phenyl] acetate
CID 2987344

Frequently Asked Questions

What is the IUPAC name of N-ethylaniline;N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide?
The IUPAC name of N-ethylaniline;N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide (CID 130246864) is N-ethylaniline;N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide.
What is the SMILES notation for N-ethylaniline;N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide?
The canonical SMILES for N-ethylaniline;N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide is CCNc1ccccc1.COc1ccc2[nH]cc(CCNC(C)=O)c2c1.
What is the InChIKey of N-ethylaniline;N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide?
The InChIKey is ZJRVNDFGAIQWHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2.C8H11N/c1-9(16)14-6-5-10-8-15-13-4-3-11(17-2)7-12(10)13;1-2-9-8-6-4-3-5-7-8/h3-4,7-8,15H,5-6H2,1-2H3,(H,14,16);3-7,9H,2H2,1H3.
What are the key properties of N-ethylaniline;N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide?
N-ethylaniline;N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide has a molecular weight of 353.47 g/mol, XLogP of 3.97, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethylaniline;N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide is sourced from PubChem (CID 130246864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).