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

C15H17N3O — CID 115174014

IUPAC3-cyano-N-[2-(1H-indol-3-yl)ethyl]-N-methylpropanamide
SMILESCN(CCc1c[nH]c2ccccc12)C(=O)CCC#N
InChIInChI=1S/C15H17N3O/c1-18(15(19)7-4-9-16)10-8-12-11-17-14-6-3-2-5-13(12)14/h2-3,5-6,11,17H,4,7-8,10H2,1H3
InChIKeyNPCFGOROFBGJMA-UHFFFAOYSA-N
MW255.32 g/mol
LogP2.47
Rot. Bonds5

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

3-cyano-N-[2-(1H-indol-3-yl)ethyl]-N-methylpropanamide (PubChem CID 115174014) has the molecular formula C15H17N3O and a molecular weight of 255.32 g/mol. Its IUPAC name is 3-cyano-N-[2-(1H-indol-3-yl)ethyl]-N-methylpropanamide.

Molecular Properties

Compound Name3-cyano-N-[2-(1H-indol-3-yl)ethyl]-N-methylpropanamide
PubChem CID115174014
Molecular FormulaC15H17N3O
Molecular Weight255.32 g/mol
Exact Mass255.14
IUPAC Name3-cyano-N-[2-(1H-indol-3-yl)ethyl]-N-methylpropanamide
SMILESCN(CCc1c[nH]c2ccccc12)C(=O)CCC#N
InChIInChI=1S/C15H17N3O/c1-18(15(19)7-4-9-16)10-8-12-11-17-14-6-3-2-5-13(12)14/h2-3,5-6,11,17H,4,7-8,10H2,1H3
InChIKeyNPCFGOROFBGJMA-UHFFFAOYSA-N
XLogP2.47
TPSA59.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-[2-(1H-indol-3-yl)ethyl-methylamino]-5-oxopentanoic acid
CID 23336462
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CID 82087538
N-(2-hydroxyethyl)-3-(1H-indol-3-yl)-N-methylpropanamide
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3-(1H-indol-3-yl)-N-methyl-N-(2-methylsulfanylethyl)propanamide
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CID 110733094
2-(1H-indol-3-yl)ethyl-methylcyanamide
CID 117029366
2-amino-N-(2-cyanoethyl)-3-(1H-indol-3-yl)-N-methylpropanamide
CID 76892125
N-[2-(3,5-dimethylpyrazolidin-4-yl)ethyl]-3-(1H-indol-3-yl)-N-methylpropanamide
CID 134127501
N,N-bis(cyanomethyl)-4-(1H-indol-3-yl)butanamide
CID 43582543
N-(2-hydroxy-2-methylpropyl)-4-(1H-indol-3-yl)-N-methylbutanamide
CID 79270948
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CID 110733076

Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-[2-(1H-indol-3-yl)ethyl]-N-methylpropanamide?
The IUPAC name of 3-cyano-N-[2-(1H-indol-3-yl)ethyl]-N-methylpropanamide (CID 115174014) is 3-cyano-N-[2-(1H-indol-3-yl)ethyl]-N-methylpropanamide.
What is the SMILES notation for 3-cyano-N-[2-(1H-indol-3-yl)ethyl]-N-methylpropanamide?
The canonical SMILES for 3-cyano-N-[2-(1H-indol-3-yl)ethyl]-N-methylpropanamide is CN(CCc1c[nH]c2ccccc12)C(=O)CCC#N.
What is the InChIKey of 3-cyano-N-[2-(1H-indol-3-yl)ethyl]-N-methylpropanamide?
The InChIKey is NPCFGOROFBGJMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O/c1-18(15(19)7-4-9-16)10-8-12-11-17-14-6-3-2-5-13(12)14/h2-3,5-6,11,17H,4,7-8,10H2,1H3.
What are the key properties of 3-cyano-N-[2-(1H-indol-3-yl)ethyl]-N-methylpropanamide?
3-cyano-N-[2-(1H-indol-3-yl)ethyl]-N-methylpropanamide has a molecular weight of 255.32 g/mol, XLogP of 2.47, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-[2-(1H-indol-3-yl)ethyl]-N-methylpropanamide is sourced from PubChem (CID 115174014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).