(Z)-2-cyano-3-[1-(4-methoxyphenyl)ethylamino]-N,N-bis(prop-2-enyl)prop-2-enamide

C19H23N3O2 — CID 108861104

IUPAC(Z)-2-cyano-3-[1-(4-methoxyphenyl)ethylamino]-N,N-bis(prop-2-enyl)prop-2-enamide
SMILESC=CCN(CC=C)C(=O)/C(C#N)=C\NC(C)c1ccc(OC)cc1
InChIInChI=1S/C19H23N3O2/c1-5-11-22(12-6-2)19(23)17(13-20)14-21-15(3)16-7-9-18(24-4)10-8-16/h5-10,14-15,21H,1-2,11-12H2,3-4H3/b17-14-
InChIKeyNRXAFQHZOIWREN-VKAVYKQESA-N
MW325.41 g/mol
LogP2.95
Rot. Bonds9

About (Z)-2-cyano-3-[1-(4-methoxyphenyl)ethylamino]-N,N-bis(prop-2-enyl)prop-2-enamide

(Z)-2-cyano-3-[1-(4-methoxyphenyl)ethylamino]-N,N-bis(prop-2-enyl)prop-2-enamide (PubChem CID 108861104) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is (Z)-2-cyano-3-[1-(4-methoxyphenyl)ethylamino]-N,N-bis(prop-2-enyl)prop-2-enamide.

Molecular Properties

Compound Name(Z)-2-cyano-3-[1-(4-methoxyphenyl)ethylamino]-N,N-bis(prop-2-enyl)prop-2-enamide
PubChem CID108861104
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Name(Z)-2-cyano-3-[1-(4-methoxyphenyl)ethylamino]-N,N-bis(prop-2-enyl)prop-2-enamide
SMILESC=CCN(CC=C)C(=O)/C(C#N)=C\NC(C)c1ccc(OC)cc1
InChIInChI=1S/C19H23N3O2/c1-5-11-22(12-6-2)19(23)17(13-20)14-21-15(3)16-7-9-18(24-4)10-8-16/h5-10,14-15,21H,1-2,11-12H2,3-4H3/b17-14-
InChIKeyNRXAFQHZOIWREN-VKAVYKQESA-N
XLogP2.95
TPSA65.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(Z)-2-cyano-3-(2,4-dimethoxyanilino)-N,N-bis(prop-2-enyl)prop-2-enamide
CID 108861195
3-[[(Z)-2-cyano-3-[1-(4-methoxyphenyl)ethylamino]prop-2-enoyl]amino]propanoic acid
CID 108817625
(Z)-3-(butan-2-ylamino)-2-cyano-N,N-bis(prop-2-enyl)prop-2-enamide
CID 108861069
(Z)-2-cyano-N-(4-hydroxyphenyl)-3-[1-(4-methoxyphenyl)ethylamino]prop-2-enamide
CID 108827319
(Z)-2-cyano-3-[1-(4-ethylphenyl)ethylamino]-N-[(4-methoxyphenyl)methyl]prop-2-enamide
CID 108840704
6-[[(Z)-2-cyano-3-[1-(4-methoxyphenyl)ethylamino]prop-2-enoyl]amino]hexanoic acid
CID 108845124
(Z)-2-cyano-3-(1-hydroxybutan-2-ylamino)-N-[1-(4-methoxyphenyl)ethyl]prop-2-enamide
CID 108847476
(Z)-2-cyano-N-(2,4-dichlorophenyl)-3-[1-(4-methoxyphenyl)ethylamino]prop-2-enamide
CID 108828801
(Z)-2-cyano-N-(2,5-dichlorophenyl)-3-[1-(4-methoxyphenyl)ethylamino]prop-2-enamide
CID 108825455
(Z)-2-cyano-3-(2,6-dimethylanilino)-N,N-bis(prop-2-enyl)prop-2-enamide
CID 108861312
(Z)-2-cyano-3-(ethylamino)-N-[1-(4-methoxyphenyl)ethyl]prop-2-enamide
CID 108847432
(Z)-2-cyano-3-(2-hydroxyanilino)-N,N-bis(prop-2-enyl)prop-2-enamide
CID 108861125

Frequently Asked Questions

What is the IUPAC name of (Z)-2-cyano-3-[1-(4-methoxyphenyl)ethylamino]-N,N-bis(prop-2-enyl)prop-2-enamide?
The IUPAC name of (Z)-2-cyano-3-[1-(4-methoxyphenyl)ethylamino]-N,N-bis(prop-2-enyl)prop-2-enamide (CID 108861104) is (Z)-2-cyano-3-[1-(4-methoxyphenyl)ethylamino]-N,N-bis(prop-2-enyl)prop-2-enamide.
What is the SMILES notation for (Z)-2-cyano-3-[1-(4-methoxyphenyl)ethylamino]-N,N-bis(prop-2-enyl)prop-2-enamide?
The canonical SMILES for (Z)-2-cyano-3-[1-(4-methoxyphenyl)ethylamino]-N,N-bis(prop-2-enyl)prop-2-enamide is C=CCN(CC=C)C(=O)/C(C#N)=C\NC(C)c1ccc(OC)cc1.
What is the InChIKey of (Z)-2-cyano-3-[1-(4-methoxyphenyl)ethylamino]-N,N-bis(prop-2-enyl)prop-2-enamide?
The InChIKey is NRXAFQHZOIWREN-VKAVYKQESA-N. The full InChI is InChI=1S/C19H23N3O2/c1-5-11-22(12-6-2)19(23)17(13-20)14-21-15(3)16-7-9-18(24-4)10-8-16/h5-10,14-15,21H,1-2,11-12H2,3-4H3/b17-14-.
What are the key properties of (Z)-2-cyano-3-[1-(4-methoxyphenyl)ethylamino]-N,N-bis(prop-2-enyl)prop-2-enamide?
(Z)-2-cyano-3-[1-(4-methoxyphenyl)ethylamino]-N,N-bis(prop-2-enyl)prop-2-enamide has a molecular weight of 325.41 g/mol, XLogP of 2.95, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-cyano-3-[1-(4-methoxyphenyl)ethylamino]-N,N-bis(prop-2-enyl)prop-2-enamide is sourced from PubChem (CID 108861104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).