N,N-bis(2-cyanoethyl)-3-indol-1-ylpropanamide

C17H18N4O — CID 51095546

IUPACN,N-bis(2-cyanoethyl)-3-indol-1-ylpropanamide
SMILESN#CCCN(CCC#N)C(=O)CCn1ccc2ccccc21
InChIInChI=1S/C17H18N4O/c18-9-3-11-21(12-4-10-19)17(22)8-14-20-13-7-15-5-1-2-6-16(15)20/h1-2,5-7,13H,3-4,8,11-12,14H2
InChIKeyOGNZWBSDVIYECC-UHFFFAOYSA-N
MW294.36 g/mol
LogP2.69
Rot. Bonds7

About N,N-bis(2-cyanoethyl)-3-indol-1-ylpropanamide

N,N-bis(2-cyanoethyl)-3-indol-1-ylpropanamide (PubChem CID 51095546) has the molecular formula C17H18N4O and a molecular weight of 294.36 g/mol. Its IUPAC name is N,N-bis(2-cyanoethyl)-3-indol-1-ylpropanamide.

Molecular Properties

Compound NameN,N-bis(2-cyanoethyl)-3-indol-1-ylpropanamide
PubChem CID51095546
Molecular FormulaC17H18N4O
Molecular Weight294.36 g/mol
Exact Mass294.15
IUPAC NameN,N-bis(2-cyanoethyl)-3-indol-1-ylpropanamide
SMILESN#CCCN(CCC#N)C(=O)CCn1ccc2ccccc21
InChIInChI=1S/C17H18N4O/c18-9-3-11-21(12-4-10-19)17(22)8-14-20-13-7-15-5-1-2-6-16(15)20/h1-2,5-7,13H,3-4,8,11-12,14H2
InChIKeyOGNZWBSDVIYECC-UHFFFAOYSA-N
XLogP2.69
TPSA72.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-indol-1-ylpropanoyl(propyl)amino]acetic acid
CID 119205084
[1-[N-(2-cyanoethyl)anilino]-1-oxopropan-2-yl] 3-indol-1-ylpropanoate
CID 55562675
ethyl 3-[3-indol-1-ylpropanoyl(methyl)amino]propanoate
CID 84557932
N,N,N',N'-tetrakis(2-cyanoethyl)butanediamide
CID 15084880
N-cyclohexyl-3-indol-1-yl-N-methylpropanamide
CID 84557875
1-hydroxy-1-(2-indol-1-ylethyl)urea
CID 19887629
3-amino-N,N-bis(2-cyanoethyl)propanamide
CID 60953472
2-(2-aminophenyl)-N,N-bis(2-cyanoethyl)acetamide
CID 61114789
N-(cyanomethyl)-2-indol-1-ylacetamide
CID 55220475
N-ethyl-3-indol-1-yl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]propanamide
CID 135821181
3-[ethyl-(2-indol-1-ylacetyl)amino]propanoic acid
CID 119191440
N'-(2-cyanoethyl)-N-[1-(2-methoxyethyl)indol-5-yl]-N'-phenylbutanediamide
CID 56505725

Frequently Asked Questions

What is the IUPAC name of N,N-bis(2-cyanoethyl)-3-indol-1-ylpropanamide?
The IUPAC name of N,N-bis(2-cyanoethyl)-3-indol-1-ylpropanamide (CID 51095546) is N,N-bis(2-cyanoethyl)-3-indol-1-ylpropanamide.
What is the SMILES notation for N,N-bis(2-cyanoethyl)-3-indol-1-ylpropanamide?
The canonical SMILES for N,N-bis(2-cyanoethyl)-3-indol-1-ylpropanamide is N#CCCN(CCC#N)C(=O)CCn1ccc2ccccc21.
What is the InChIKey of N,N-bis(2-cyanoethyl)-3-indol-1-ylpropanamide?
The InChIKey is OGNZWBSDVIYECC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O/c18-9-3-11-21(12-4-10-19)17(22)8-14-20-13-7-15-5-1-2-6-16(15)20/h1-2,5-7,13H,3-4,8,11-12,14H2.
What are the key properties of N,N-bis(2-cyanoethyl)-3-indol-1-ylpropanamide?
N,N-bis(2-cyanoethyl)-3-indol-1-ylpropanamide has a molecular weight of 294.36 g/mol, XLogP of 2.69, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(2-cyanoethyl)-3-indol-1-ylpropanamide is sourced from PubChem (CID 51095546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).