N-[[2-(ethoxymethyl)phenyl]methyl]-2-morpholin-4-yl-5-nitrobenzamide

C21H25N3O5 — CID 55600348

IUPACN-[[2-(ethoxymethyl)phenyl]methyl]-2-morpholin-4-yl-5-nitrobenzamide
SMILESCCOCc1ccccc1CNC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1
InChIInChI=1S/C21H25N3O5/c1-2-28-15-17-6-4-3-5-16(17)14-22-21(25)19-13-18(24(26)27)7-8-20(19)23-9-11-29-12-10-23/h3-8,13H,2,9-12,14-15H2,1H3,(H,22,25)
InChIKeyQEUVUGDVWRVRMC-UHFFFAOYSA-N
MW399.45 g/mol
LogP2.90
Rot. Bonds8

About N-[[2-(ethoxymethyl)phenyl]methyl]-2-morpholin-4-yl-5-nitrobenzamide

N-[[2-(ethoxymethyl)phenyl]methyl]-2-morpholin-4-yl-5-nitrobenzamide (PubChem CID 55600348) has the molecular formula C21H25N3O5 and a molecular weight of 399.45 g/mol. Its IUPAC name is N-[[2-(ethoxymethyl)phenyl]methyl]-2-morpholin-4-yl-5-nitrobenzamide.

Molecular Properties

Compound NameN-[[2-(ethoxymethyl)phenyl]methyl]-2-morpholin-4-yl-5-nitrobenzamide
PubChem CID55600348
Molecular FormulaC21H25N3O5
Molecular Weight399.45 g/mol
Exact Mass399.18
IUPAC NameN-[[2-(ethoxymethyl)phenyl]methyl]-2-morpholin-4-yl-5-nitrobenzamide
SMILESCCOCc1ccccc1CNC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1
InChIInChI=1S/C21H25N3O5/c1-2-28-15-17-6-4-3-5-16(17)14-22-21(25)19-13-18(24(26)27)7-8-20(19)23-9-11-29-12-10-23/h3-8,13H,2,9-12,14-15H2,1H3,(H,22,25)
InChIKeyQEUVUGDVWRVRMC-UHFFFAOYSA-N
XLogP2.90
TPSA93.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.45
LogP ≤ 52.90
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': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[[2-(ethoxymethyl)phenyl]methyl]-2-morpholin-4-yl-5-nitrobenzamide 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

N-[[2-(ethoxymethyl)phenyl]methyl]-2-(4-methylpiperidin-1-yl)-5-nitrobenzamide
CID 55599200
N-[(3,5-dimethoxyphenyl)methyl]-2-morpholin-4-yl-5-nitrobenzamide
CID 55595517
2-morpholin-4-yl-5-nitro-N-pentylbenzamide
CID 29196205
N-[(3-chlorophenyl)methyl]-2-morpholin-4-yl-5-nitrobenzamide
CID 7409532
N-(2-ethyl-6-methylphenyl)-2-morpholin-4-yl-5-nitrobenzamide
CID 4028000
2-morpholin-4-yl-5-nitro-N-(2,2,2-trifluoroethyl)benzamide
CID 37266897
2-methoxy-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-5-nitrobenzamide
CID 9481549
2-(dimethylamino)-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-5-nitrobenzamide
CID 31787443
(2-chlorophenyl)methyl 2-morpholin-4-yl-5-nitrobenzoate
CID 18075401
N'-ethyl-N'-(4-methylphenyl)-2-morpholin-4-yl-5-nitrobenzohydrazide
CID 9182334
2-morpholin-4-yl-5-nitro-N-(2-nitrophenyl)benzamide
CID 3524695
2-morpholin-4-yl-N-naphthalen-1-yl-5-nitrobenzamide
CID 7900478

Frequently Asked Questions

What is the IUPAC name of N-[[2-(ethoxymethyl)phenyl]methyl]-2-morpholin-4-yl-5-nitrobenzamide?
The IUPAC name of N-[[2-(ethoxymethyl)phenyl]methyl]-2-morpholin-4-yl-5-nitrobenzamide (CID 55600348) is N-[[2-(ethoxymethyl)phenyl]methyl]-2-morpholin-4-yl-5-nitrobenzamide.
What is the SMILES notation for N-[[2-(ethoxymethyl)phenyl]methyl]-2-morpholin-4-yl-5-nitrobenzamide?
The canonical SMILES for N-[[2-(ethoxymethyl)phenyl]methyl]-2-morpholin-4-yl-5-nitrobenzamide is CCOCc1ccccc1CNC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1.
What is the InChIKey of N-[[2-(ethoxymethyl)phenyl]methyl]-2-morpholin-4-yl-5-nitrobenzamide?
The InChIKey is QEUVUGDVWRVRMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O5/c1-2-28-15-17-6-4-3-5-16(17)14-22-21(25)19-13-18(24(26)27)7-8-20(19)23-9-11-29-12-10-23/h3-8,13H,2,9-12,14-15H2,1H3,(H,22,25).
What are the key properties of N-[[2-(ethoxymethyl)phenyl]methyl]-2-morpholin-4-yl-5-nitrobenzamide?
N-[[2-(ethoxymethyl)phenyl]methyl]-2-morpholin-4-yl-5-nitrobenzamide has a molecular weight of 399.45 g/mol, XLogP of 2.90, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(ethoxymethyl)phenyl]methyl]-2-morpholin-4-yl-5-nitrobenzamide is sourced from PubChem (CID 55600348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).