4-methoxy-N-(4-morpholin-4-yl-3-nitrophenyl)benzamide

C18H19N3O5 — CID 17127079

IUPAC4-methoxy-N-(4-morpholin-4-yl-3-nitrophenyl)benzamide
SMILESCOc1ccc(C(=O)Nc2ccc(N3CCOCC3)c([N+](=O)[O-])c2)cc1
InChIInChI=1S/C18H19N3O5/c1-25-15-5-2-13(3-6-15)18(22)19-14-4-7-16(17(12-14)21(23)24)20-8-10-26-11-9-20/h2-7,12H,8-11H2,1H3,(H,19,22)
InChIKeyFGXXDEWHYAONPB-UHFFFAOYSA-N
MW357.37 g/mol
LogP2.69
Rot. Bonds5

About 4-methoxy-N-(4-morpholin-4-yl-3-nitrophenyl)benzamide

4-methoxy-N-(4-morpholin-4-yl-3-nitrophenyl)benzamide (PubChem CID 17127079) has the molecular formula C18H19N3O5 and a molecular weight of 357.37 g/mol. Its IUPAC name is 4-methoxy-N-(4-morpholin-4-yl-3-nitrophenyl)benzamide.

Molecular Properties

Compound Name4-methoxy-N-(4-morpholin-4-yl-3-nitrophenyl)benzamide
PubChem CID17127079
Molecular FormulaC18H19N3O5
Molecular Weight357.37 g/mol
Exact Mass357.13
IUPAC Name4-methoxy-N-(4-morpholin-4-yl-3-nitrophenyl)benzamide
SMILESCOc1ccc(C(=O)Nc2ccc(N3CCOCC3)c([N+](=O)[O-])c2)cc1
InChIInChI=1S/C18H19N3O5/c1-25-15-5-2-13(3-6-15)18(22)19-14-4-7-16(17(12-14)21(23)24)20-8-10-26-11-9-20/h2-7,12H,8-11H2,1H3,(H,19,22)
InChIKeyFGXXDEWHYAONPB-UHFFFAOYSA-N
XLogP2.69
TPSA93.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.37
LogP ≤ 52.69
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 4-methoxy-N-(4-morpholin-4-yl-3-nitrophenyl)benzamide 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-(4-methoxyphenyl)-4-morpholin-4-yl-3-nitrobenzamide
CID 2964862
3,4-dimethoxy-N-(4-morpholin-4-yl-3-nitrophenyl)benzamide
CID 17127084
N-(4-morpholin-4-yl-3-nitrophenyl)-4-nitrobenzamide
CID 17127125
4-[(2S)-butan-2-yl]oxy-N-(4-morpholin-4-yl-3-nitrophenyl)benzamide
CID 40864770
N-(4-morpholin-4-yl-3-nitrophenyl)-4-propan-2-ylbenzamide
CID 17127057
N-(4-methoxyphenyl)-2-morpholin-4-yl-5-[(4-nitrobenzoyl)amino]benzamide
CID 2973346
3,5-dichloro-4-methoxy-N-(4-morpholin-4-yl-3-nitrophenyl)benzamide
CID 17127080
2-(4-methoxyphenoxy)-N-(4-morpholin-4-yl-3-nitrophenyl)acetamide
CID 17127200
N-(3-chloro-4-methylphenyl)-4-morpholin-4-yl-3-nitrobenzamide
CID 2903047
4-methoxy-N-(2-morpholin-4-yl-4-nitrophenyl)benzamide
CID 17220849
N-(3-iodo-4-methylphenyl)-4-morpholin-4-yl-3-nitrobenzamide
CID 3299574
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-morpholin-4-yl-3-nitrobenzamide
CID 3491966

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-(4-morpholin-4-yl-3-nitrophenyl)benzamide?
The IUPAC name of 4-methoxy-N-(4-morpholin-4-yl-3-nitrophenyl)benzamide (CID 17127079) is 4-methoxy-N-(4-morpholin-4-yl-3-nitrophenyl)benzamide.
What is the SMILES notation for 4-methoxy-N-(4-morpholin-4-yl-3-nitrophenyl)benzamide?
The canonical SMILES for 4-methoxy-N-(4-morpholin-4-yl-3-nitrophenyl)benzamide is COc1ccc(C(=O)Nc2ccc(N3CCOCC3)c([N+](=O)[O-])c2)cc1.
What is the InChIKey of 4-methoxy-N-(4-morpholin-4-yl-3-nitrophenyl)benzamide?
The InChIKey is FGXXDEWHYAONPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O5/c1-25-15-5-2-13(3-6-15)18(22)19-14-4-7-16(17(12-14)21(23)24)20-8-10-26-11-9-20/h2-7,12H,8-11H2,1H3,(H,19,22).
What are the key properties of 4-methoxy-N-(4-morpholin-4-yl-3-nitrophenyl)benzamide?
4-methoxy-N-(4-morpholin-4-yl-3-nitrophenyl)benzamide has a molecular weight of 357.37 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-(4-morpholin-4-yl-3-nitrophenyl)benzamide is sourced from PubChem (CID 17127079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).