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

C23H28N4O3 — CID 69014970

IUPAC3-(2-aminoethyl)-1H-indol-5-ol;N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide
SMILESCOc1ccc2[nH]cc(CCNC(C)=O)c2c1.NCCc1c[nH]c2ccc(O)cc12
InChIInChI=1S/C13H16N2O2.C10H12N2O/c1-9(16)14-6-5-10-8-15-13-4-3-11(17-2)7-12(10)13;11-4-3-7-6-12-10-2-1-8(13)5-9(7)10/h3-4,7-8,15H,5-6H2,1-2H3,(H,14,16);1-2,5-6,12-13H,3-4,11H2
InChIKeyOCMHFRCTNLHPJK-UHFFFAOYSA-N
MW408.50 g/mol
LogP3.23
Rot. Bonds6

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

3-(2-aminoethyl)-1H-indol-5-ol;N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide (PubChem CID 69014970) has the molecular formula C23H28N4O3 and a molecular weight of 408.50 g/mol. Its IUPAC name is 3-(2-aminoethyl)-1H-indol-5-ol;N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide.

Molecular Properties

Compound Name3-(2-aminoethyl)-1H-indol-5-ol;N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide
PubChem CID69014970
Molecular FormulaC23H28N4O3
Molecular Weight408.50 g/mol
Exact Mass408.22
IUPAC Name3-(2-aminoethyl)-1H-indol-5-ol;N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide
SMILESCOc1ccc2[nH]cc(CCNC(C)=O)c2c1.NCCc1c[nH]c2ccc(O)cc12
InChIInChI=1S/C13H16N2O2.C10H12N2O/c1-9(16)14-6-5-10-8-15-13-4-3-11(17-2)7-12(10)13;11-4-3-7-6-12-10-2-1-8(13)5-9(7)10/h3-4,7-8,15H,5-6H2,1-2H3,(H,14,16);1-2,5-6,12-13H,3-4,11H2
InChIKeyOCMHFRCTNLHPJK-UHFFFAOYSA-N
XLogP3.23
TPSA116.16 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.50
LogP ≤ 53.23
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 104

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Related Compounds

potassium;N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide;hydroxide
CID 174776187
3-(2-aminoethyl)-1H-indol-5-ol;deuterium monohydride;methane;N-[2-(5-methyl-1H-indol-3-yl)ethyl]acetamide;hydrochloride
CID 158992514
(4-methoxyphenyl) N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]carbamate
CID 24749698
4-amino-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]butanamide
CID 26652
N-[2-(7-deuterio-5-methoxy-1H-indol-3-yl)ethyl]acetamide
CID 87897806
N-ethylaniline;N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide
CID 130246864
[(2S)-1-[2-(5-methoxy-1H-indol-3-yl)ethylamino]-1-oxopropan-2-yl] acetate
CID 51852107
N-[(5-methoxy-1H-indol-3-yl)methyl]acetamide
CID 71554009
3-(4-hydroxyphenyl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]prop-2-enamide
CID 20979893
ethyl 3-[2-(5-methoxy-1H-indol-3-yl)ethylamino]-3-oxopropanoate
CID 18794243
4-amino-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]butanamide;(2R,3R)-2,3-dihydroxybutanedioic acid
CID 26651
4-amino-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]butanamide;2,3-dihydroxybutanedioic acid
CID 23619193

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminoethyl)-1H-indol-5-ol;N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide?
The IUPAC name of 3-(2-aminoethyl)-1H-indol-5-ol;N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide (CID 69014970) is 3-(2-aminoethyl)-1H-indol-5-ol;N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide.
What is the SMILES notation for 3-(2-aminoethyl)-1H-indol-5-ol;N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide?
The canonical SMILES for 3-(2-aminoethyl)-1H-indol-5-ol;N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide is COc1ccc2[nH]cc(CCNC(C)=O)c2c1.NCCc1c[nH]c2ccc(O)cc12.
What is the InChIKey of 3-(2-aminoethyl)-1H-indol-5-ol;N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide?
The InChIKey is OCMHFRCTNLHPJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2.C10H12N2O/c1-9(16)14-6-5-10-8-15-13-4-3-11(17-2)7-12(10)13;11-4-3-7-6-12-10-2-1-8(13)5-9(7)10/h3-4,7-8,15H,5-6H2,1-2H3,(H,14,16);1-2,5-6,12-13H,3-4,11H2.
What are the key properties of 3-(2-aminoethyl)-1H-indol-5-ol;N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide?
3-(2-aminoethyl)-1H-indol-5-ol;N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide has a molecular weight of 408.50 g/mol, XLogP of 3.23, 6 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminoethyl)-1H-indol-5-ol;N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide is sourced from PubChem (CID 69014970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).