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

C14H18N2O — CID 167080571

IUPACN-[2-(5,7-dimethyl-1H-indol-3-yl)ethyl]acetamide
SMILESCC(=O)NCCc1c[nH]c2c(C)cc(C)cc12
InChIInChI=1S/C14H18N2O/c1-9-6-10(2)14-13(7-9)12(8-16-14)4-5-15-11(3)17/h6-8,16H,4-5H2,1-3H3,(H,15,17)
InChIKeyGIZKXFITLVRYQE-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.46
Rot. Bonds3

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

N-[2-(5,7-dimethyl-1H-indol-3-yl)ethyl]acetamide (PubChem CID 167080571) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is N-[2-(5,7-dimethyl-1H-indol-3-yl)ethyl]acetamide.

Molecular Properties

Compound NameN-[2-(5,7-dimethyl-1H-indol-3-yl)ethyl]acetamide
PubChem CID167080571
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC NameN-[2-(5,7-dimethyl-1H-indol-3-yl)ethyl]acetamide
SMILESCC(=O)NCCc1c[nH]c2c(C)cc(C)cc12
InChIInChI=1S/C14H18N2O/c1-9-6-10(2)14-13(7-9)12(8-16-14)4-5-15-11(3)17/h6-8,16H,4-5H2,1-3H3,(H,15,17)
InChIKeyGIZKXFITLVRYQE-UHFFFAOYSA-N
XLogP2.46
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

N-[2-(5,7-dimethyl-1H-indol-3-yl)ethyl]cyclopropanamine
CID 82494846
3-(5,7-dimethyl-1H-indol-3-yl)-N-propan-2-ylpropan-1-amine
CID 96674980
N-[2-(2,4,6-trimethylphenyl)ethyl]acetamide
CID 110788028
2-(5,7-dimethyl-1H-indol-3-yl)acetonitrile
CID 82490743
[3-(2-acetamidoethyl)-1H-indol-7-yl] acetate
CID 169222521
N-[2-[7-(1-acetamidoethyl)-5-cyano-1H-indol-3-yl]ethyl]acetamide
CID 154705581
[3-(2-acetamidoethyl)-1H-indol-6-yl] acetate
CID 169222411
3-(2-aminoethyl)-1H-indol-5-ol;deuterium monohydride;methane;N-[2-(5-methyl-1H-indol-3-yl)ethyl]acetamide;hydrochloride
CID 158992514
N-[2-(4,6,7-trichloro-5-methoxy-1H-indol-3-yl)ethyl]acetamide
CID 58952589
4-(7-methoxy-5-methyl-1H-indol-3-yl)butan-2-one
CID 82495434
N-[2-[7-[4-(2-chloroacetyl)piperazine-1-carbonyl]-5-fluoro-1H-indol-3-yl]ethyl]acetamide
CID 154706306
3-acetamido-N-[2-(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]propanamide
CID 110415464

Frequently Asked Questions

What is the IUPAC name of N-[2-(5,7-dimethyl-1H-indol-3-yl)ethyl]acetamide?
The IUPAC name of N-[2-(5,7-dimethyl-1H-indol-3-yl)ethyl]acetamide (CID 167080571) is N-[2-(5,7-dimethyl-1H-indol-3-yl)ethyl]acetamide.
What is the SMILES notation for N-[2-(5,7-dimethyl-1H-indol-3-yl)ethyl]acetamide?
The canonical SMILES for N-[2-(5,7-dimethyl-1H-indol-3-yl)ethyl]acetamide is CC(=O)NCCc1c[nH]c2c(C)cc(C)cc12.
What is the InChIKey of N-[2-(5,7-dimethyl-1H-indol-3-yl)ethyl]acetamide?
The InChIKey is GIZKXFITLVRYQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c1-9-6-10(2)14-13(7-9)12(8-16-14)4-5-15-11(3)17/h6-8,16H,4-5H2,1-3H3,(H,15,17).
What are the key properties of N-[2-(5,7-dimethyl-1H-indol-3-yl)ethyl]acetamide?
N-[2-(5,7-dimethyl-1H-indol-3-yl)ethyl]acetamide has a molecular weight of 230.31 g/mol, XLogP of 2.46, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5,7-dimethyl-1H-indol-3-yl)ethyl]acetamide is sourced from PubChem (CID 167080571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).