(Z)-2-cyano-3-[ethyl(2-hydroxyethyl)amino]-N-(4-nitrophenyl)prop-2-enamide

C14H16N4O4 — CID 108853049

IUPAC(Z)-2-cyano-3-[ethyl(2-hydroxyethyl)amino]-N-(4-nitrophenyl)prop-2-enamide
SMILESCCN(/C=C(/C#N)C(=O)Nc1ccc([N+](=O)[O-])cc1)CCO
InChIInChI=1S/C14H16N4O4/c1-2-17(7-8-19)10-11(9-15)14(20)16-12-3-5-13(6-4-12)18(21)22/h3-6,10,19H,2,7-8H2,1H3,(H,16,20)/b11-10-
InChIKeyIOGOBQWIMIPGHT-KHPPLWFESA-N
MW304.31 g/mol
LogP1.25
Rot. Bonds7

About (Z)-2-cyano-3-[ethyl(2-hydroxyethyl)amino]-N-(4-nitrophenyl)prop-2-enamide

(Z)-2-cyano-3-[ethyl(2-hydroxyethyl)amino]-N-(4-nitrophenyl)prop-2-enamide (PubChem CID 108853049) has the molecular formula C14H16N4O4 and a molecular weight of 304.31 g/mol. Its IUPAC name is (Z)-2-cyano-3-[ethyl(2-hydroxyethyl)amino]-N-(4-nitrophenyl)prop-2-enamide.

Molecular Properties

Compound Name(Z)-2-cyano-3-[ethyl(2-hydroxyethyl)amino]-N-(4-nitrophenyl)prop-2-enamide
PubChem CID108853049
Molecular FormulaC14H16N4O4
Molecular Weight304.31 g/mol
Exact Mass304.12
IUPAC Name(Z)-2-cyano-3-[ethyl(2-hydroxyethyl)amino]-N-(4-nitrophenyl)prop-2-enamide
SMILESCCN(/C=C(/C#N)C(=O)Nc1ccc([N+](=O)[O-])cc1)CCO
InChIInChI=1S/C14H16N4O4/c1-2-17(7-8-19)10-11(9-15)14(20)16-12-3-5-13(6-4-12)18(21)22/h3-6,10,19H,2,7-8H2,1H3,(H,16,20)/b11-10-
InChIKeyIOGOBQWIMIPGHT-KHPPLWFESA-N
XLogP1.25
TPSA119.50 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.31
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(Z)-N-(4-acetamidophenyl)-3-[benzyl(2-hydroxyethyl)amino]-2-cyanoprop-2-enamide
CID 108818639
(E)-2-cyano-N-(4-ethylphenyl)-3-(4-nitrophenyl)prop-2-enamide
CID 2713671
2-cyano-N-(4-ethylphenyl)-3-(4-nitrophenyl)prop-2-enamide
CID 4002691
(Z)-2-cyano-N-(4-ethylphenyl)-3-(4-nitrophenyl)prop-2-enamide
CID 2713670
(Z)-3-(N-benzylanilino)-2-cyano-N-(4-nitrophenyl)prop-2-enamide
CID 108853080
(Z)-2-cyano-3-[ethyl(2-hydroxyethyl)amino]-N-[2-(trifluoromethyl)phenyl]prop-2-enamide
CID 108822948
(Z)-N-(4-aminophenyl)-2-cyano-3-(dipropylamino)prop-2-enamide
CID 108818136
(Z)-N-(4-chlorophenyl)-2-cyano-3-(dipropylamino)prop-2-enamide
CID 108860870
(Z)-3-[benzyl(2-hydroxyethyl)amino]-2-cyano-N-(4-hydroxyphenyl)prop-2-enamide
CID 108827409
(Z)-N-(4-chloro-3-nitrophenyl)-2-cyano-3-(dibutylamino)prop-2-enamide
CID 108852298
(Z)-2-cyano-N-(4-ethoxyphenyl)-3-(4-nitrophenyl)prop-2-enamide
CID 45041756
4-[[(Z)-2-cyano-3-[ethyl(2-pyridin-4-ylethyl)amino]prop-2-enoyl]amino]benzenesulfonic acid
CID 108819241

Frequently Asked Questions

What is the IUPAC name of (Z)-2-cyano-3-[ethyl(2-hydroxyethyl)amino]-N-(4-nitrophenyl)prop-2-enamide?
The IUPAC name of (Z)-2-cyano-3-[ethyl(2-hydroxyethyl)amino]-N-(4-nitrophenyl)prop-2-enamide (CID 108853049) is (Z)-2-cyano-3-[ethyl(2-hydroxyethyl)amino]-N-(4-nitrophenyl)prop-2-enamide.
What is the SMILES notation for (Z)-2-cyano-3-[ethyl(2-hydroxyethyl)amino]-N-(4-nitrophenyl)prop-2-enamide?
The canonical SMILES for (Z)-2-cyano-3-[ethyl(2-hydroxyethyl)amino]-N-(4-nitrophenyl)prop-2-enamide is CCN(/C=C(/C#N)C(=O)Nc1ccc([N+](=O)[O-])cc1)CCO.
What is the InChIKey of (Z)-2-cyano-3-[ethyl(2-hydroxyethyl)amino]-N-(4-nitrophenyl)prop-2-enamide?
The InChIKey is IOGOBQWIMIPGHT-KHPPLWFESA-N. The full InChI is InChI=1S/C14H16N4O4/c1-2-17(7-8-19)10-11(9-15)14(20)16-12-3-5-13(6-4-12)18(21)22/h3-6,10,19H,2,7-8H2,1H3,(H,16,20)/b11-10-.
What are the key properties of (Z)-2-cyano-3-[ethyl(2-hydroxyethyl)amino]-N-(4-nitrophenyl)prop-2-enamide?
(Z)-2-cyano-3-[ethyl(2-hydroxyethyl)amino]-N-(4-nitrophenyl)prop-2-enamide has a molecular weight of 304.31 g/mol, XLogP of 1.25, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-cyano-3-[ethyl(2-hydroxyethyl)amino]-N-(4-nitrophenyl)prop-2-enamide is sourced from PubChem (CID 108853049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).