(2R)-2-(2-formyl-4-nitrophenoxy)-N-(4-morpholin-4-ylphenyl)propanamide

C20H21N3O6 — CID 7990437

IUPAC(2R)-2-(2-formyl-4-nitrophenoxy)-N-(4-morpholin-4-ylphenyl)propanamide
SMILESC[C@@H](Oc1ccc([N+](=O)[O-])cc1C=O)C(=O)Nc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C20H21N3O6/c1-14(29-19-7-6-18(23(26)27)12-15(19)13-24)20(25)21-16-2-4-17(5-3-16)22-8-10-28-11-9-22/h2-7,12-14H,8-11H2,1H3,(H,21,25)/t14-/m1/s1
InChIKeyDBQHPYWWVIMQNW-CQSZACIVSA-N
MW399.40 g/mol
LogP2.65
Rot. Bonds7

About (2R)-2-(2-formyl-4-nitrophenoxy)-N-(4-morpholin-4-ylphenyl)propanamide

(2R)-2-(2-formyl-4-nitrophenoxy)-N-(4-morpholin-4-ylphenyl)propanamide (PubChem CID 7990437) has the molecular formula C20H21N3O6 and a molecular weight of 399.40 g/mol. Its IUPAC name is (2R)-2-(2-formyl-4-nitrophenoxy)-N-(4-morpholin-4-ylphenyl)propanamide.

Molecular Properties

Compound Name(2R)-2-(2-formyl-4-nitrophenoxy)-N-(4-morpholin-4-ylphenyl)propanamide
PubChem CID7990437
Molecular FormulaC20H21N3O6
Molecular Weight399.40 g/mol
Exact Mass399.14
IUPAC Name(2R)-2-(2-formyl-4-nitrophenoxy)-N-(4-morpholin-4-ylphenyl)propanamide
SMILESC[C@@H](Oc1ccc([N+](=O)[O-])cc1C=O)C(=O)Nc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C20H21N3O6/c1-14(29-19-7-6-18(23(26)27)12-15(19)13-24)20(25)21-16-2-4-17(5-3-16)22-8-10-28-11-9-22/h2-7,12-14H,8-11H2,1H3,(H,21,25)/t14-/m1/s1
InChIKeyDBQHPYWWVIMQNW-CQSZACIVSA-N
XLogP2.65
TPSA111.01 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.40
LogP ≤ 52.65
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': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (2R)-2-(2-formyl-4-nitrophenoxy)-N-(4-morpholin-4-ylphenyl)propanamide 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

(2R)-N-(3-chloro-4-methoxyphenyl)-2-(2-formyl-4-nitrophenoxy)propanamide
CID 8733327
N-(4-morpholin-4-ylphenyl)-2-[(2-nitro-3-pyridinyl)oxy]propanamide
CID 42974842
(2S)-N-(2,6-difluorophenyl)-2-(2-formyl-4-nitrophenoxy)propanamide
CID 8733285
(2S)-2-(1-formylnaphthalen-2-yl)oxy-N-(4-morpholin-4-ylphenyl)propanamide
CID 7763394
(2S)-2-(4-acetyl-2-methoxyphenoxy)-N-(4-morpholin-4-ylphenyl)propanamide
CID 7990427
(2R)-N-(2,5-dimethylphenyl)-2-(2-formyl-4-nitrophenoxy)propanamide
CID 8733164
N-[4-(azepan-1-yl)phenyl]-2-(2-formyl-4-nitrophenoxy)acetamide
CID 8808920
2-morpholin-4-yl-5-nitrobenzaldehyde
CID 2794872
(2S)-2-(2-formyl-4-nitrophenoxy)-N-(2-methoxyethyl)propanamide
CID 8733172
N-(2-methoxy-5-nitrophenyl)-2-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]propanamide
CID 55351428
2-[(2R)-1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl]oxy-N-phenylbenzamide
CID 41251975
methyl 3-[(2S)-1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl]oxybenzoate
CID 7989999

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2-formyl-4-nitrophenoxy)-N-(4-morpholin-4-ylphenyl)propanamide?
The IUPAC name of (2R)-2-(2-formyl-4-nitrophenoxy)-N-(4-morpholin-4-ylphenyl)propanamide (CID 7990437) is (2R)-2-(2-formyl-4-nitrophenoxy)-N-(4-morpholin-4-ylphenyl)propanamide.
What is the SMILES notation for (2R)-2-(2-formyl-4-nitrophenoxy)-N-(4-morpholin-4-ylphenyl)propanamide?
The canonical SMILES for (2R)-2-(2-formyl-4-nitrophenoxy)-N-(4-morpholin-4-ylphenyl)propanamide is C[C@@H](Oc1ccc([N+](=O)[O-])cc1C=O)C(=O)Nc1ccc(N2CCOCC2)cc1.
What is the InChIKey of (2R)-2-(2-formyl-4-nitrophenoxy)-N-(4-morpholin-4-ylphenyl)propanamide?
The InChIKey is DBQHPYWWVIMQNW-CQSZACIVSA-N. The full InChI is InChI=1S/C20H21N3O6/c1-14(29-19-7-6-18(23(26)27)12-15(19)13-24)20(25)21-16-2-4-17(5-3-16)22-8-10-28-11-9-22/h2-7,12-14H,8-11H2,1H3,(H,21,25)/t14-/m1/s1.
What are the key properties of (2R)-2-(2-formyl-4-nitrophenoxy)-N-(4-morpholin-4-ylphenyl)propanamide?
(2R)-2-(2-formyl-4-nitrophenoxy)-N-(4-morpholin-4-ylphenyl)propanamide has a molecular weight of 399.40 g/mol, XLogP of 2.65, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2-formyl-4-nitrophenoxy)-N-(4-morpholin-4-ylphenyl)propanamide is sourced from PubChem (CID 7990437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).