N-(2-cyanoethyl)-2-[5-(ethylaminomethyl)indol-1-yl]acetamide

C16H20N4O — CID 102915820

IUPACN-(2-cyanoethyl)-2-[5-(ethylaminomethyl)indol-1-yl]acetamide
SMILESCCNCc1ccc2c(ccn2CC(=O)NCCC#N)c1
InChIInChI=1S/C16H20N4O/c1-2-18-11-13-4-5-15-14(10-13)6-9-20(15)12-16(21)19-8-3-7-17/h4-6,9-10,18H,2-3,8,11-12H2,1H3,(H,19,21)
InChIKeyMWVRRHRNONNUKM-UHFFFAOYSA-N
MW284.36 g/mol
LogP1.78
Rot. Bonds7

About N-(2-cyanoethyl)-2-[5-(ethylaminomethyl)indol-1-yl]acetamide

N-(2-cyanoethyl)-2-[5-(ethylaminomethyl)indol-1-yl]acetamide (PubChem CID 102915820) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is N-(2-cyanoethyl)-2-[5-(ethylaminomethyl)indol-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-2-[5-(ethylaminomethyl)indol-1-yl]acetamide
PubChem CID102915820
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC NameN-(2-cyanoethyl)-2-[5-(ethylaminomethyl)indol-1-yl]acetamide
SMILESCCNCc1ccc2c(ccn2CC(=O)NCCC#N)c1
InChIInChI=1S/C16H20N4O/c1-2-18-11-13-4-5-15-14(10-13)6-9-20(15)12-16(21)19-8-3-7-17/h4-6,9-10,18H,2-3,8,11-12H2,1H3,(H,19,21)
InChIKeyMWVRRHRNONNUKM-UHFFFAOYSA-N
XLogP1.78
TPSA69.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-2-[5-(ethylaminomethyl)indol-1-yl]acetamide
CID 102915889
2-[5-(aminomethyl)indol-1-yl]-N-(2-cyanoethyl)acetamide
CID 102915421
N-ethyl-2-[5-(propylaminomethyl)indol-1-yl]acetamide
CID 102915996
N-butyl-2-[5-(methylaminomethyl)indol-1-yl]acetamide
CID 102915746
2-[5-(ethylaminomethyl)indol-1-yl]acetonitrile
CID 102915930
methyl 2-[5-(ethylaminomethyl)indol-1-yl]acetate
CID 102915843
N-butyl-2-[6-(ethylaminomethyl)indol-1-yl]acetamide
CID 102916722
N-cyclopropyl-2-[5-(ethylaminomethyl)indol-1-yl]acetamide
CID 102915871
N-(3-methoxypropyl)-2-[5-(methylaminomethyl)indol-1-yl]acetamide
CID 102915716
N-butyl-2-[5-(hydroxymethyl)indol-1-yl]acetamide
CID 102912501
2-[5-(ethylaminomethyl)indol-1-yl]ethanol
CID 102915827
N-ethyl-2-(5-methylindol-1-yl)acetamide
CID 116623028

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-2-[5-(ethylaminomethyl)indol-1-yl]acetamide?
The IUPAC name of N-(2-cyanoethyl)-2-[5-(ethylaminomethyl)indol-1-yl]acetamide (CID 102915820) is N-(2-cyanoethyl)-2-[5-(ethylaminomethyl)indol-1-yl]acetamide.
What is the SMILES notation for N-(2-cyanoethyl)-2-[5-(ethylaminomethyl)indol-1-yl]acetamide?
The canonical SMILES for N-(2-cyanoethyl)-2-[5-(ethylaminomethyl)indol-1-yl]acetamide is CCNCc1ccc2c(ccn2CC(=O)NCCC#N)c1.
What is the InChIKey of N-(2-cyanoethyl)-2-[5-(ethylaminomethyl)indol-1-yl]acetamide?
The InChIKey is MWVRRHRNONNUKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c1-2-18-11-13-4-5-15-14(10-13)6-9-20(15)12-16(21)19-8-3-7-17/h4-6,9-10,18H,2-3,8,11-12H2,1H3,(H,19,21).
What are the key properties of N-(2-cyanoethyl)-2-[5-(ethylaminomethyl)indol-1-yl]acetamide?
N-(2-cyanoethyl)-2-[5-(ethylaminomethyl)indol-1-yl]acetamide has a molecular weight of 284.36 g/mol, XLogP of 1.78, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-2-[5-(ethylaminomethyl)indol-1-yl]acetamide is sourced from PubChem (CID 102915820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).