(Z)-2-cyano-3-(2-morpholin-4-yl-5-nitrophenyl)-N-phenylprop-2-enamide

C20H18N4O4 — CID 126008290

IUPAC(Z)-2-cyano-3-(2-morpholin-4-yl-5-nitrophenyl)-N-phenylprop-2-enamide
SMILESN#C/C(=C/c1cc([N+](=O)[O-])ccc1N1CCOCC1)C(=O)Nc1ccccc1
InChIInChI=1S/C20H18N4O4/c21-14-16(20(25)22-17-4-2-1-3-5-17)12-15-13-18(24(26)27)6-7-19(15)23-8-10-28-11-9-23/h1-7,12-13H,8-11H2,(H,22,25)/b16-12-
InChIKeyQHEQEBMKYWGZDC-VBKFSLOCSA-N
MW378.39 g/mol
LogP2.98
Rot. Bonds5

About (Z)-2-cyano-3-(2-morpholin-4-yl-5-nitrophenyl)-N-phenylprop-2-enamide

(Z)-2-cyano-3-(2-morpholin-4-yl-5-nitrophenyl)-N-phenylprop-2-enamide (PubChem CID 126008290) has the molecular formula C20H18N4O4 and a molecular weight of 378.39 g/mol. Its IUPAC name is (Z)-2-cyano-3-(2-morpholin-4-yl-5-nitrophenyl)-N-phenylprop-2-enamide.

Molecular Properties

Compound Name(Z)-2-cyano-3-(2-morpholin-4-yl-5-nitrophenyl)-N-phenylprop-2-enamide
PubChem CID126008290
Molecular FormulaC20H18N4O4
Molecular Weight378.39 g/mol
Exact Mass378.13
IUPAC Name(Z)-2-cyano-3-(2-morpholin-4-yl-5-nitrophenyl)-N-phenylprop-2-enamide
SMILESN#C/C(=C/c1cc([N+](=O)[O-])ccc1N1CCOCC1)C(=O)Nc1ccccc1
InChIInChI=1S/C20H18N4O4/c21-14-16(20(25)22-17-4-2-1-3-5-17)12-15-13-18(24(26)27)6-7-19(15)23-8-10-28-11-9-23/h1-7,12-13H,8-11H2,(H,22,25)/b16-12-
InChIKeyQHEQEBMKYWGZDC-VBKFSLOCSA-N
XLogP2.98
TPSA108.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.39
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'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

(E)-2-cyano-N-cyclohexyl-3-(2-morpholin-4-yl-5-nitrophenyl)prop-2-enamide
CID 21213871
(Z)-3-(2-chloro-5-nitrophenyl)-2-cyano-N-phenylprop-2-enamide
CID 99887191
4,4-dimethyl-2-[(2-morpholin-4-yl-5-nitrophenyl)methylidene]-3-oxopentanenitrile
CID 5124148
(E)-2-cyano-3-[2-(dimethylamino)-5-nitrophenyl]-N-phenylprop-2-enamide
CID 126004480
(E)-2-cyano-3-[2,5-dimethyl-1-(2-methyl-4-nitrophenyl)pyrrol-3-yl]-N-phenylprop-2-enamide
CID 1350456
(Z)-2-cyano-3-morpholin-4-yl-N-(4-nitrophenyl)prop-2-enamide
CID 108852937
(E)-3-[2-(4-methylpiperazin-1-yl)-5-nitrophenyl]-2-(morpholine-4-carbonyl)prop-2-enenitrile
CID 126015085
2-morpholin-4-yl-5-nitrobenzaldehyde
CID 2794872
N-(4-chlorophenyl)-2-cyano-3-[2,5-dimethyl-1-(4-morpholin-4-yl-3-nitrophenyl)pyrrol-3-yl]prop-2-enamide
CID 3372383
(E)-2-cyano-N-(4-morpholin-4-ylphenyl)-3-phenylprop-2-enamide
CID 2238856
(Z)-2-cyano-N-(4-nitrophenyl)-3-(4-phenylpiperazin-1-yl)prop-2-enamide
CID 108853152
(E)-N-(5-chloro-2-morpholin-4-ylphenyl)-3-(2-chlorophenyl)-2-cyanoprop-2-enamide
CID 18207006

Frequently Asked Questions

What is the IUPAC name of (Z)-2-cyano-3-(2-morpholin-4-yl-5-nitrophenyl)-N-phenylprop-2-enamide?
The IUPAC name of (Z)-2-cyano-3-(2-morpholin-4-yl-5-nitrophenyl)-N-phenylprop-2-enamide (CID 126008290) is (Z)-2-cyano-3-(2-morpholin-4-yl-5-nitrophenyl)-N-phenylprop-2-enamide.
What is the SMILES notation for (Z)-2-cyano-3-(2-morpholin-4-yl-5-nitrophenyl)-N-phenylprop-2-enamide?
The canonical SMILES for (Z)-2-cyano-3-(2-morpholin-4-yl-5-nitrophenyl)-N-phenylprop-2-enamide is N#C/C(=C/c1cc([N+](=O)[O-])ccc1N1CCOCC1)C(=O)Nc1ccccc1.
What is the InChIKey of (Z)-2-cyano-3-(2-morpholin-4-yl-5-nitrophenyl)-N-phenylprop-2-enamide?
The InChIKey is QHEQEBMKYWGZDC-VBKFSLOCSA-N. The full InChI is InChI=1S/C20H18N4O4/c21-14-16(20(25)22-17-4-2-1-3-5-17)12-15-13-18(24(26)27)6-7-19(15)23-8-10-28-11-9-23/h1-7,12-13H,8-11H2,(H,22,25)/b16-12-.
What are the key properties of (Z)-2-cyano-3-(2-morpholin-4-yl-5-nitrophenyl)-N-phenylprop-2-enamide?
(Z)-2-cyano-3-(2-morpholin-4-yl-5-nitrophenyl)-N-phenylprop-2-enamide has a molecular weight of 378.39 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-cyano-3-(2-morpholin-4-yl-5-nitrophenyl)-N-phenylprop-2-enamide is sourced from PubChem (CID 126008290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).