N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-3-(4-nitrophenyl)prop-2-enamide

C23H27N3O6 — CID 5190970

IUPACN-(2,5-diethoxy-4-morpholin-4-ylphenyl)-3-(4-nitrophenyl)prop-2-enamide
SMILESCCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)C=Cc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C23H27N3O6/c1-3-31-21-16-20(25-11-13-30-14-12-25)22(32-4-2)15-19(21)24-23(27)10-7-17-5-8-18(9-6-17)26(28)29/h5-10,15-16H,3-4,11-14H2,1-2H3,(H,24,27)
InChIKeyMKXLBKKEFXDGLZ-UHFFFAOYSA-N
MW441.48 g/mol
LogP3.88
Rot. Bonds9

About N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-3-(4-nitrophenyl)prop-2-enamide

N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-3-(4-nitrophenyl)prop-2-enamide (PubChem CID 5190970) has the molecular formula C23H27N3O6 and a molecular weight of 441.48 g/mol. Its IUPAC name is N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-3-(4-nitrophenyl)prop-2-enamide.

Molecular Properties

Compound NameN-(2,5-diethoxy-4-morpholin-4-ylphenyl)-3-(4-nitrophenyl)prop-2-enamide
PubChem CID5190970
Molecular FormulaC23H27N3O6
Molecular Weight441.48 g/mol
Exact Mass441.19
IUPAC NameN-(2,5-diethoxy-4-morpholin-4-ylphenyl)-3-(4-nitrophenyl)prop-2-enamide
SMILESCCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)C=Cc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C23H27N3O6/c1-3-31-21-16-20(25-11-13-30-14-12-25)22(32-4-2)15-19(21)24-23(27)10-7-17-5-8-18(9-6-17)26(28)29/h5-10,15-16H,3-4,11-14H2,1-2H3,(H,24,27)
InChIKeyMKXLBKKEFXDGLZ-UHFFFAOYSA-N
XLogP3.88
TPSA103.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.48
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', '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'}

Analyze N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-3-(4-nitrophenyl)prop-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(E)-3-(2-bromophenyl)-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)prop-2-enamide
CID 26413911
N-(2,5-diethoxyphenyl)-3-(4-nitrophenyl)prop-2-enamide
CID 75618226
3-(3-chloro-4,5-dimethoxyphenyl)-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)prop-2-enamide
CID 4579015
(E)-3-(3-chloro-4,5-dimethoxyphenyl)-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)prop-2-enamide
CID 6155213
(E)-N-(2-morpholin-4-yl-4-nitrophenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 17220931
3-(3,4-diethoxyphenyl)-N-(2-morpholin-4-ylphenyl)prop-2-enamide
CID 78780835
N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-(4-methylphenyl)sulfanyl-5-nitrobenzamide
CID 3257110
N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-nitrocyclopropane-1-carboxamide
CID 55771739
N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-3-[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]prop-2-enamide
CID 4655750
N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-methylsulfanylacetamide
CID 9079407
ethyl 2-[2-(2,5-diethoxy-4-morpholin-4-ylanilino)-2-oxoethyl]sulfanylacetate
CID 7952651
N-(5-chloro-2-morpholin-4-ylphenyl)-3-(4-chlorophenyl)prop-2-enamide
CID 4027785

Frequently Asked Questions

What is the IUPAC name of N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-3-(4-nitrophenyl)prop-2-enamide?
The IUPAC name of N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-3-(4-nitrophenyl)prop-2-enamide (CID 5190970) is N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-3-(4-nitrophenyl)prop-2-enamide.
What is the SMILES notation for N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-3-(4-nitrophenyl)prop-2-enamide?
The canonical SMILES for N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-3-(4-nitrophenyl)prop-2-enamide is CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)C=Cc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-3-(4-nitrophenyl)prop-2-enamide?
The InChIKey is MKXLBKKEFXDGLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O6/c1-3-31-21-16-20(25-11-13-30-14-12-25)22(32-4-2)15-19(21)24-23(27)10-7-17-5-8-18(9-6-17)26(28)29/h5-10,15-16H,3-4,11-14H2,1-2H3,(H,24,27).
What are the key properties of N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-3-(4-nitrophenyl)prop-2-enamide?
N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-3-(4-nitrophenyl)prop-2-enamide has a molecular weight of 441.48 g/mol, XLogP of 3.88, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-3-(4-nitrophenyl)prop-2-enamide is sourced from PubChem (CID 5190970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).