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

C17H20N4O2 — CID 154705581

IUPACN-[2-[7-(1-acetamidoethyl)-5-cyano-1H-indol-3-yl]ethyl]acetamide
SMILESCC(=O)NCCc1c[nH]c2c(C(C)NC(C)=O)cc(C#N)cc12
InChIInChI=1S/C17H20N4O2/c1-10(21-12(3)23)15-6-13(8-18)7-16-14(9-20-17(15)16)4-5-19-11(2)22/h6-7,9-10,20H,4-5H2,1-3H3,(H,19,22)(H,21,23)
InChIKeyFJHOKYXBQQEUIW-UHFFFAOYSA-N
MW312.37 g/mol
LogP1.92
Rot. Bonds5

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

N-[2-[7-(1-acetamidoethyl)-5-cyano-1H-indol-3-yl]ethyl]acetamide (PubChem CID 154705581) has the molecular formula C17H20N4O2 and a molecular weight of 312.37 g/mol. Its IUPAC name is N-[2-[7-(1-acetamidoethyl)-5-cyano-1H-indol-3-yl]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[7-(1-acetamidoethyl)-5-cyano-1H-indol-3-yl]ethyl]acetamide
PubChem CID154705581
Molecular FormulaC17H20N4O2
Molecular Weight312.37 g/mol
Exact Mass312.16
IUPAC NameN-[2-[7-(1-acetamidoethyl)-5-cyano-1H-indol-3-yl]ethyl]acetamide
SMILESCC(=O)NCCc1c[nH]c2c(C(C)NC(C)=O)cc(C#N)cc12
InChIInChI=1S/C17H20N4O2/c1-10(21-12(3)23)15-6-13(8-18)7-16-14(9-20-17(15)16)4-5-19-11(2)22/h6-7,9-10,20H,4-5H2,1-3H3,(H,19,22)(H,21,23)
InChIKeyFJHOKYXBQQEUIW-UHFFFAOYSA-N
XLogP1.92
TPSA97.78 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 51.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(5,7-dimethyl-1H-indol-3-yl)ethyl]acetamide
CID 167080571
(2R)-2-(4-cyanophenoxy)-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 27645064
[3-(2-acetamidoethyl)-1H-indol-7-yl] acetate
CID 169222521
N-[2-(4,6,7-trichloro-5-methoxy-1H-indol-3-yl)ethyl]acetamide
CID 58952589
N-[2-(5-cyano-1-methoxyindol-3-yl)ethyl]acetamide
CID 101450267
potassium;N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide;hydroxide
CID 174776187
N-[2-[5-[(2R)-3-(tert-butylamino)-2-hydroxypropoxy]-1H-indol-3-yl]ethyl]acetamide
CID 901727
1-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-propan-2-ylurea
CID 113083690
[3-(2-acetamidoethyl)-1H-indol-6-yl] acetate
CID 169222411
1-[1-(2,5-dimethylfuran-3-yl)ethyl]-3-[2-(6-methyl-1H-indol-3-yl)ethyl]urea
CID 86880953
N-[2-[7-[4-(2-chloroacetyl)piperazine-1-carbonyl]-5-fluoro-1H-indol-3-yl]ethyl]acetamide
CID 154706306
N-[2-[5-fluoro-7-[1H-indazol-5-ylmethyl(methyl)amino]-1H-indol-3-yl]ethyl]acetamide
CID 154726878

Frequently Asked Questions

What is the IUPAC name of N-[2-[7-(1-acetamidoethyl)-5-cyano-1H-indol-3-yl]ethyl]acetamide?
The IUPAC name of N-[2-[7-(1-acetamidoethyl)-5-cyano-1H-indol-3-yl]ethyl]acetamide (CID 154705581) is N-[2-[7-(1-acetamidoethyl)-5-cyano-1H-indol-3-yl]ethyl]acetamide.
What is the SMILES notation for N-[2-[7-(1-acetamidoethyl)-5-cyano-1H-indol-3-yl]ethyl]acetamide?
The canonical SMILES for N-[2-[7-(1-acetamidoethyl)-5-cyano-1H-indol-3-yl]ethyl]acetamide is CC(=O)NCCc1c[nH]c2c(C(C)NC(C)=O)cc(C#N)cc12.
What is the InChIKey of N-[2-[7-(1-acetamidoethyl)-5-cyano-1H-indol-3-yl]ethyl]acetamide?
The InChIKey is FJHOKYXBQQEUIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2/c1-10(21-12(3)23)15-6-13(8-18)7-16-14(9-20-17(15)16)4-5-19-11(2)22/h6-7,9-10,20H,4-5H2,1-3H3,(H,19,22)(H,21,23).
What are the key properties of N-[2-[7-(1-acetamidoethyl)-5-cyano-1H-indol-3-yl]ethyl]acetamide?
N-[2-[7-(1-acetamidoethyl)-5-cyano-1H-indol-3-yl]ethyl]acetamide has a molecular weight of 312.37 g/mol, XLogP of 1.92, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[7-(1-acetamidoethyl)-5-cyano-1H-indol-3-yl]ethyl]acetamide is sourced from PubChem (CID 154705581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).