(Z)-2-cyano-3-[2-(1H-indol-3-yl)ethylamino]-N-propan-2-ylprop-2-enamide

C17H20N4O — CID 108829740

IUPAC(Z)-2-cyano-3-[2-(1H-indol-3-yl)ethylamino]-N-propan-2-ylprop-2-enamide
SMILESCC(C)NC(=O)/C(C#N)=C\NCCc1c[nH]c2ccccc12
InChIInChI=1S/C17H20N4O/c1-12(2)21-17(22)14(9-18)10-19-8-7-13-11-20-16-6-4-3-5-15(13)16/h3-6,10-12,19-20H,7-8H2,1-2H3,(H,21,22)/b14-10-
InChIKeyNWJWLVGEIKFPDD-UVTDQMKNSA-N
MW296.37 g/mol
LogP2.23
Rot. Bonds6

About (Z)-2-cyano-3-[2-(1H-indol-3-yl)ethylamino]-N-propan-2-ylprop-2-enamide

(Z)-2-cyano-3-[2-(1H-indol-3-yl)ethylamino]-N-propan-2-ylprop-2-enamide (PubChem CID 108829740) has the molecular formula C17H20N4O and a molecular weight of 296.37 g/mol. Its IUPAC name is (Z)-2-cyano-3-[2-(1H-indol-3-yl)ethylamino]-N-propan-2-ylprop-2-enamide.

Molecular Properties

Compound Name(Z)-2-cyano-3-[2-(1H-indol-3-yl)ethylamino]-N-propan-2-ylprop-2-enamide
PubChem CID108829740
Molecular FormulaC17H20N4O
Molecular Weight296.37 g/mol
Exact Mass296.16
IUPAC Name(Z)-2-cyano-3-[2-(1H-indol-3-yl)ethylamino]-N-propan-2-ylprop-2-enamide
SMILESCC(C)NC(=O)/C(C#N)=C\NCCc1c[nH]c2ccccc12
InChIInChI=1S/C17H20N4O/c1-12(2)21-17(22)14(9-18)10-19-8-7-13-11-20-16-6-4-3-5-15(13)16/h3-6,10-12,19-20H,7-8H2,1-2H3,(H,21,22)/b14-10-
InChIKeyNWJWLVGEIKFPDD-UVTDQMKNSA-N
XLogP2.23
TPSA80.71 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 52.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(Z)-2-cyano-N-(5-hydroxynaphthalen-1-yl)-3-[2-(1H-indol-3-yl)ethylamino]prop-2-enamide
CID 108843085
(Z)-N-(3-butoxypropyl)-2-cyano-3-[2-(1H-indol-3-yl)ethylamino]prop-2-enamide
CID 108837168
N-[2-(1H-indol-3-yl)ethyl]-N'-propan-2-yloxamide
CID 2026350
(Z)-2-cyano-N-(2,5-dichlorophenyl)-3-[2-(1H-indol-3-yl)ethylamino]prop-2-enamide
CID 108825650
2-[2-(1H-indol-3-yl)ethylamino]-N-propan-2-ylacetamide
CID 108992856
(Z)-2-cyano-3-[2-(4-methylphenyl)ethylamino]-N-propan-2-ylprop-2-enamide
CID 108829807
(Z)-but-2-enedioic acid;N-[2-(1H-indol-3-yl)ethyl]propan-2-amine
CID 5380391
2-cyano-3-(4-hydroxyphenyl)-N-[2-(1H-indol-3-yl)ethyl]prop-2-enamide
CID 801523
N-[2-(1H-indol-3-yl)ethyl]-2-(propan-2-ylcarbamoylamino)acetamide
CID 112993944
(E)-N-[2-(1H-indol-3-yl)ethyl]prop-1-en-1-amine
CID 118478788
2-[[(Z)-3-[2-(2-bromophenyl)ethylamino]-2-cyanoprop-2-enoyl]amino]propanoic acid
CID 108845007
2-cyano-N-[2-(1H-indol-3-yl)ethyl]-3-(3-methylthiophen-2-yl)prop-2-enamide
CID 5226150

Frequently Asked Questions

What is the IUPAC name of (Z)-2-cyano-3-[2-(1H-indol-3-yl)ethylamino]-N-propan-2-ylprop-2-enamide?
The IUPAC name of (Z)-2-cyano-3-[2-(1H-indol-3-yl)ethylamino]-N-propan-2-ylprop-2-enamide (CID 108829740) is (Z)-2-cyano-3-[2-(1H-indol-3-yl)ethylamino]-N-propan-2-ylprop-2-enamide.
What is the SMILES notation for (Z)-2-cyano-3-[2-(1H-indol-3-yl)ethylamino]-N-propan-2-ylprop-2-enamide?
The canonical SMILES for (Z)-2-cyano-3-[2-(1H-indol-3-yl)ethylamino]-N-propan-2-ylprop-2-enamide is CC(C)NC(=O)/C(C#N)=C\NCCc1c[nH]c2ccccc12.
What is the InChIKey of (Z)-2-cyano-3-[2-(1H-indol-3-yl)ethylamino]-N-propan-2-ylprop-2-enamide?
The InChIKey is NWJWLVGEIKFPDD-UVTDQMKNSA-N. The full InChI is InChI=1S/C17H20N4O/c1-12(2)21-17(22)14(9-18)10-19-8-7-13-11-20-16-6-4-3-5-15(13)16/h3-6,10-12,19-20H,7-8H2,1-2H3,(H,21,22)/b14-10-.
What are the key properties of (Z)-2-cyano-3-[2-(1H-indol-3-yl)ethylamino]-N-propan-2-ylprop-2-enamide?
(Z)-2-cyano-3-[2-(1H-indol-3-yl)ethylamino]-N-propan-2-ylprop-2-enamide has a molecular weight of 296.37 g/mol, XLogP of 2.23, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-cyano-3-[2-(1H-indol-3-yl)ethylamino]-N-propan-2-ylprop-2-enamide is sourced from PubChem (CID 108829740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).