N-(4-methoxyphenyl)-4-morpholin-4-yl-3-nitrobenzamide

C18H19N3O5 — CID 2964862

IUPACN-(4-methoxyphenyl)-4-morpholin-4-yl-3-nitrobenzamide
SMILESCOc1ccc(NC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)cc1
InChIInChI=1S/C18H19N3O5/c1-25-15-5-3-14(4-6-15)19-18(22)13-2-7-16(17(12-13)21(23)24)20-8-10-26-11-9-20/h2-7,12H,8-11H2,1H3,(H,19,22)
InChIKeyASDSPKOBITTWIE-UHFFFAOYSA-N
MW357.37 g/mol
LogP2.69
Rot. Bonds5

About N-(4-methoxyphenyl)-4-morpholin-4-yl-3-nitrobenzamide

N-(4-methoxyphenyl)-4-morpholin-4-yl-3-nitrobenzamide (PubChem CID 2964862) has the molecular formula C18H19N3O5 and a molecular weight of 357.37 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-4-morpholin-4-yl-3-nitrobenzamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-4-morpholin-4-yl-3-nitrobenzamide
PubChem CID2964862
Molecular FormulaC18H19N3O5
Molecular Weight357.37 g/mol
Exact Mass357.13
IUPAC NameN-(4-methoxyphenyl)-4-morpholin-4-yl-3-nitrobenzamide
SMILESCOc1ccc(NC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)cc1
InChIInChI=1S/C18H19N3O5/c1-25-15-5-3-14(4-6-15)19-18(22)13-2-7-16(17(12-13)21(23)24)20-8-10-26-11-9-20/h2-7,12H,8-11H2,1H3,(H,19,22)
InChIKeyASDSPKOBITTWIE-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': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-methoxy-N-(4-morpholin-4-yl-3-nitrophenyl)benzamide
CID 17127079
3,4-dimethoxy-N-(4-morpholin-4-yl-3-nitrophenyl)benzamide
CID 17127084
N-(4-methylsulfonylphenyl)-4-morpholin-4-yl-3-nitrobenzamide
CID 18291350
4-morpholin-4-yl-3-nitro-N-(4-piperidin-1-ylphenyl)benzamide
CID 4810767
butyl 4-[(4-morpholin-4-yl-3-nitrobenzoyl)amino]benzoate
CID 22778648
N-(4-methoxyphenyl)-2-morpholin-4-yl-5-[(4-nitrobenzoyl)amino]benzamide
CID 2973346
N-(3-chloro-4-methylphenyl)-4-morpholin-4-yl-3-nitrobenzamide
CID 2903047
N-[(6-methoxynaphthalen-2-yl)methyl]-4-morpholin-4-yl-3-nitrobenzamide
CID 16962073
N-(3-iodo-4-methylphenyl)-4-morpholin-4-yl-3-nitrobenzamide
CID 3299574
N-[4-(4-methylsulfonylpiperazin-1-yl)phenyl]-4-morpholin-4-yl-3-nitrobenzamide
CID 17118272
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-morpholin-4-yl-3-nitrobenzamide
CID 3491966
N-(3,5-dimethoxyphenyl)-3-nitro-4-piperidin-1-ylbenzamide
CID 7409582

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-4-morpholin-4-yl-3-nitrobenzamide?
The IUPAC name of N-(4-methoxyphenyl)-4-morpholin-4-yl-3-nitrobenzamide (CID 2964862) is N-(4-methoxyphenyl)-4-morpholin-4-yl-3-nitrobenzamide.
What is the SMILES notation for N-(4-methoxyphenyl)-4-morpholin-4-yl-3-nitrobenzamide?
The canonical SMILES for N-(4-methoxyphenyl)-4-morpholin-4-yl-3-nitrobenzamide is COc1ccc(NC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-4-morpholin-4-yl-3-nitrobenzamide?
The InChIKey is ASDSPKOBITTWIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O5/c1-25-15-5-3-14(4-6-15)19-18(22)13-2-7-16(17(12-13)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 N-(4-methoxyphenyl)-4-morpholin-4-yl-3-nitrobenzamide?
N-(4-methoxyphenyl)-4-morpholin-4-yl-3-nitrobenzamide 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 N-(4-methoxyphenyl)-4-morpholin-4-yl-3-nitrobenzamide is sourced from PubChem (CID 2964862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).