2-cyano-N-[2-(2-methyl-1H-indol-3-yl)ethyl]acetamide

C14H15N3O — CID 115173271

IUPAC2-cyano-N-[2-(2-methyl-1H-indol-3-yl)ethyl]acetamide
SMILESCc1[nH]c2ccccc2c1CCNC(=O)CC#N
InChIInChI=1S/C14H15N3O/c1-10-11(7-9-16-14(18)6-8-15)12-4-2-3-5-13(12)17-10/h2-5,17H,6-7,9H2,1H3,(H,16,18)
InChIKeyCESTWIWDFWNXKS-UHFFFAOYSA-N
MW241.29 g/mol
LogP2.05
Rot. Bonds4

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

2-cyano-N-[2-(2-methyl-1H-indol-3-yl)ethyl]acetamide (PubChem CID 115173271) has the molecular formula C14H15N3O and a molecular weight of 241.29 g/mol. Its IUPAC name is 2-cyano-N-[2-(2-methyl-1H-indol-3-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-cyano-N-[2-(2-methyl-1H-indol-3-yl)ethyl]acetamide
PubChem CID115173271
Molecular FormulaC14H15N3O
Molecular Weight241.29 g/mol
Exact Mass241.12
IUPAC Name2-cyano-N-[2-(2-methyl-1H-indol-3-yl)ethyl]acetamide
SMILESCc1[nH]c2ccccc2c1CCNC(=O)CC#N
InChIInChI=1S/C14H15N3O/c1-10-11(7-9-16-14(18)6-8-15)12-4-2-3-5-13(12)17-10/h2-5,17H,6-7,9H2,1H3,(H,16,18)
InChIKeyCESTWIWDFWNXKS-UHFFFAOYSA-N
XLogP2.05
TPSA68.68 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

N-[2-(2-methyl-1H-indol-3-yl)ethyl]propanamide
CID 110789052
N-[2-(2-methyl-1H-indol-3-yl)ethyl]-3-oxobutanamide
CID 71492148
2-(2-methyl-1H-indol-3-yl)ethylcarbamic acid
CID 115171128
2-(ethylamino)-N-[2-(2-methyl-1H-indol-3-yl)ethyl]acetamide
CID 115158041
2-methyl-N-[2-(2-methyl-1H-indol-3-yl)ethyl]propanamide
CID 110789053
[[8-[2-(2-methyl-1H-indol-3-yl)ethylamino]-8-oxooctanoyl]amino]oxidanium
CID 148932122
4-(hydroxymethyl)-N-[2-(2-methyl-1H-indol-3-yl)ethyl]benzamide
CID 54776348
3-[2-(2-methyl-1H-indol-3-yl)ethylamino]propanenitrile
CID 115231100
3,5-dimethoxy-N-[2-(2-methyl-1H-indol-3-yl)ethyl]benzamide
CID 110789064
N-[2-(2-methyl-1H-indol-3-yl)ethyl]-6-oxo-1H-pyridine-3-carboxamide
CID 16763802
1-[2-(2-methyl-1H-indol-3-yl)ethyl]-3-phenylurea
CID 110775881
2-(2-methyl-1H-indol-3-yl)-N-(2-phenylethyl)acetamide
CID 31852687

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[2-(2-methyl-1H-indol-3-yl)ethyl]acetamide?
The IUPAC name of 2-cyano-N-[2-(2-methyl-1H-indol-3-yl)ethyl]acetamide (CID 115173271) is 2-cyano-N-[2-(2-methyl-1H-indol-3-yl)ethyl]acetamide.
What is the SMILES notation for 2-cyano-N-[2-(2-methyl-1H-indol-3-yl)ethyl]acetamide?
The canonical SMILES for 2-cyano-N-[2-(2-methyl-1H-indol-3-yl)ethyl]acetamide is Cc1[nH]c2ccccc2c1CCNC(=O)CC#N.
What is the InChIKey of 2-cyano-N-[2-(2-methyl-1H-indol-3-yl)ethyl]acetamide?
The InChIKey is CESTWIWDFWNXKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O/c1-10-11(7-9-16-14(18)6-8-15)12-4-2-3-5-13(12)17-10/h2-5,17H,6-7,9H2,1H3,(H,16,18).
What are the key properties of 2-cyano-N-[2-(2-methyl-1H-indol-3-yl)ethyl]acetamide?
2-cyano-N-[2-(2-methyl-1H-indol-3-yl)ethyl]acetamide has a molecular weight of 241.29 g/mol, XLogP of 2.05, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-[2-(2-methyl-1H-indol-3-yl)ethyl]acetamide is sourced from PubChem (CID 115173271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).