N-[2-(7-deuterio-5-methoxy-1H-indol-3-yl)ethyl]acetamide

C13H16N2O2 — CID 87897806

IUPACN-[2-(7-deuterio-5-methoxy-1H-indol-3-yl)ethyl]acetamide
SMILES[2H]c1cc(OC)cc2c(CCNC(C)=O)c[nH]c12
InChIInChI=1S/C13H16N2O2/c1-9(16)14-6-5-10-8-15-13-4-3-11(17-2)7-12(10)13/h3-4,7-8,15H,5-6H2,1-2H3,(H,14,16)/i4D
InChIKeyDRLFMBDRBRZALE-QYKNYGDISA-N
MW233.29 g/mol
LogP1.86
Rot. Bonds4

About N-[2-(7-deuterio-5-methoxy-1H-indol-3-yl)ethyl]acetamide

N-[2-(7-deuterio-5-methoxy-1H-indol-3-yl)ethyl]acetamide (PubChem CID 87897806) has the molecular formula C13H16N2O2 and a molecular weight of 233.29 g/mol. Its IUPAC name is N-[2-(7-deuterio-5-methoxy-1H-indol-3-yl)ethyl]acetamide.

Molecular Properties

Compound NameN-[2-(7-deuterio-5-methoxy-1H-indol-3-yl)ethyl]acetamide
PubChem CID87897806
Molecular FormulaC13H16N2O2
Molecular Weight233.29 g/mol
Exact Mass233.13
IUPAC NameN-[2-(7-deuterio-5-methoxy-1H-indol-3-yl)ethyl]acetamide
SMILES[2H]c1cc(OC)cc2c(CCNC(C)=O)c[nH]c12
InChIInChI=1S/C13H16N2O2/c1-9(16)14-6-5-10-8-15-13-4-3-11(17-2)7-12(10)13/h3-4,7-8,15H,5-6H2,1-2H3,(H,14,16)/i4D
InChIKeyDRLFMBDRBRZALE-QYKNYGDISA-N
XLogP1.86
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.29
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

potassium;N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide;hydroxide
CID 174776187
N-ethylaniline;N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide
CID 130246864
3-(2-aminoethyl)-1H-indol-5-ol;N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide
CID 69014970
[(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
[4-[2-(5-methoxy-1H-indol-3-yl)ethylcarbamoyl]phenyl] acetate
CID 2987344
N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-3-methylsulfonylpropanamide
CID 131951038
[3-(2-acetamidoethyl)-1H-indol-6-yl] acetate
CID 169222411
ethyl 3-[2-(5-methoxy-1H-indol-3-yl)ethylamino]-3-oxopropanoate
CID 18794243
N-[2-(7-methoxynaphthalen-1-yl)ethyl]acetamide
CID 139057200
N-[2-(3-bromo-7-methoxynaphthalen-1-yl)ethyl]acetamide
CID 12985488
4-amino-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]butanamide
CID 26652

Frequently Asked Questions

What is the IUPAC name of N-[2-(7-deuterio-5-methoxy-1H-indol-3-yl)ethyl]acetamide?
The IUPAC name of N-[2-(7-deuterio-5-methoxy-1H-indol-3-yl)ethyl]acetamide (CID 87897806) is N-[2-(7-deuterio-5-methoxy-1H-indol-3-yl)ethyl]acetamide.
What is the SMILES notation for N-[2-(7-deuterio-5-methoxy-1H-indol-3-yl)ethyl]acetamide?
The canonical SMILES for N-[2-(7-deuterio-5-methoxy-1H-indol-3-yl)ethyl]acetamide is [2H]c1cc(OC)cc2c(CCNC(C)=O)c[nH]c12.
What is the InChIKey of N-[2-(7-deuterio-5-methoxy-1H-indol-3-yl)ethyl]acetamide?
The InChIKey is DRLFMBDRBRZALE-QYKNYGDISA-N. The full InChI is InChI=1S/C13H16N2O2/c1-9(16)14-6-5-10-8-15-13-4-3-11(17-2)7-12(10)13/h3-4,7-8,15H,5-6H2,1-2H3,(H,14,16)/i4D.
What are the key properties of N-[2-(7-deuterio-5-methoxy-1H-indol-3-yl)ethyl]acetamide?
N-[2-(7-deuterio-5-methoxy-1H-indol-3-yl)ethyl]acetamide has a molecular weight of 233.29 g/mol, XLogP of 1.86, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(7-deuterio-5-methoxy-1H-indol-3-yl)ethyl]acetamide is sourced from PubChem (CID 87897806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).