(Z)-N-benzyl-2-cyano-3-[2-(diethylamino)ethylamino]prop-2-enamide

C17H24N4O — CID 108842235

IUPAC(Z)-N-benzyl-2-cyano-3-[2-(diethylamino)ethylamino]prop-2-enamide
SMILESCCN(CC)CCN/C=C(/C#N)C(=O)NCc1ccccc1
InChIInChI=1S/C17H24N4O/c1-3-21(4-2)11-10-19-14-16(12-18)17(22)20-13-15-8-6-5-7-9-15/h5-9,14,19H,3-4,10-11,13H2,1-2H3,(H,20,22)/b16-14-
InChIKeyNUDLWYMJGOOMSZ-PEZBUJJGSA-N
MW300.41 g/mol
LogP1.64
Rot. Bonds9

About (Z)-N-benzyl-2-cyano-3-[2-(diethylamino)ethylamino]prop-2-enamide

(Z)-N-benzyl-2-cyano-3-[2-(diethylamino)ethylamino]prop-2-enamide (PubChem CID 108842235) has the molecular formula C17H24N4O and a molecular weight of 300.41 g/mol. Its IUPAC name is (Z)-N-benzyl-2-cyano-3-[2-(diethylamino)ethylamino]prop-2-enamide.

Molecular Properties

Compound Name(Z)-N-benzyl-2-cyano-3-[2-(diethylamino)ethylamino]prop-2-enamide
PubChem CID108842235
Molecular FormulaC17H24N4O
Molecular Weight300.41 g/mol
Exact Mass300.20
IUPAC Name(Z)-N-benzyl-2-cyano-3-[2-(diethylamino)ethylamino]prop-2-enamide
SMILESCCN(CC)CCN/C=C(/C#N)C(=O)NCc1ccccc1
InChIInChI=1S/C17H24N4O/c1-3-21(4-2)11-10-19-14-16(12-18)17(22)20-13-15-8-6-5-7-9-15/h5-9,14,19H,3-4,10-11,13H2,1-2H3,(H,20,22)/b16-14-
InChIKeyNUDLWYMJGOOMSZ-PEZBUJJGSA-N
XLogP1.64
TPSA68.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.41
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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)-N-benzyl-2-cyanobut-2-enamide;ethane
CID 156894406
3-(benzylamino)-2-cyano-N-ethylprop-2-enamide
CID 71410822
(Z)-N-benzyl-2-cyano-3-[2-(diethylamino)ethylamino]-N-propan-2-ylprop-2-enamide
CID 108829996
(Z)-2-cyano-3-[2-(diethylamino)ethylamino]-N-(2,6-diethylphenyl)prop-2-enamide
CID 108849305
(Z)-2-cyano-3-[3-(diethylamino)propylamino]-N-(furan-2-ylmethyl)prop-2-enamide
CID 108863429
(Z)-N-benzyl-2-cyano-3-[2-(4-methoxyphenoxy)ethylamino]prop-2-enamide
CID 108842324
(Z)-2-(4-benzylpiperazine-1-carbonyl)-3-[2-(diethylamino)ethylamino]prop-2-enenitrile
CID 108861555
(Z)-2-cyano-3-[3-(diethylamino)propylamino]-N-(1-phenylethyl)prop-2-enamide
CID 108840055
(Z)-N-benzyl-2-cyano-3-(2,4,6-trimethylanilino)prop-2-enamide
CID 108842178
(Z)-2-cyano-3-(pentylamino)-N-(2-phenylethyl)prop-2-enamide
CID 108835187
(E)-3-(benzylamino)-N-(benzylcarbamoyl)-2-cyanoprop-2-enamide
CID 56696194
(Z)-N-benzyl-2-cyano-3-(2,4,4-trimethylpentan-2-ylamino)prop-2-enamide
CID 108842268

Frequently Asked Questions

What is the IUPAC name of (Z)-N-benzyl-2-cyano-3-[2-(diethylamino)ethylamino]prop-2-enamide?
The IUPAC name of (Z)-N-benzyl-2-cyano-3-[2-(diethylamino)ethylamino]prop-2-enamide (CID 108842235) is (Z)-N-benzyl-2-cyano-3-[2-(diethylamino)ethylamino]prop-2-enamide.
What is the SMILES notation for (Z)-N-benzyl-2-cyano-3-[2-(diethylamino)ethylamino]prop-2-enamide?
The canonical SMILES for (Z)-N-benzyl-2-cyano-3-[2-(diethylamino)ethylamino]prop-2-enamide is CCN(CC)CCN/C=C(/C#N)C(=O)NCc1ccccc1.
What is the InChIKey of (Z)-N-benzyl-2-cyano-3-[2-(diethylamino)ethylamino]prop-2-enamide?
The InChIKey is NUDLWYMJGOOMSZ-PEZBUJJGSA-N. The full InChI is InChI=1S/C17H24N4O/c1-3-21(4-2)11-10-19-14-16(12-18)17(22)20-13-15-8-6-5-7-9-15/h5-9,14,19H,3-4,10-11,13H2,1-2H3,(H,20,22)/b16-14-.
What are the key properties of (Z)-N-benzyl-2-cyano-3-[2-(diethylamino)ethylamino]prop-2-enamide?
(Z)-N-benzyl-2-cyano-3-[2-(diethylamino)ethylamino]prop-2-enamide has a molecular weight of 300.41 g/mol, XLogP of 1.64, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-benzyl-2-cyano-3-[2-(diethylamino)ethylamino]prop-2-enamide is sourced from PubChem (CID 108842235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).