3,4-dimethoxy-N-(4-morpholin-4-yl-3-nitrophenyl)benzamide

C19H21N3O6 — CID 17127084

IUPAC3,4-dimethoxy-N-(4-morpholin-4-yl-3-nitrophenyl)benzamide
SMILESCOc1ccc(C(=O)Nc2ccc(N3CCOCC3)c([N+](=O)[O-])c2)cc1OC
InChIInChI=1S/C19H21N3O6/c1-26-17-6-3-13(11-18(17)27-2)19(23)20-14-4-5-15(16(12-14)22(24)25)21-7-9-28-10-8-21/h3-6,11-12H,7-10H2,1-2H3,(H,20,23)
InChIKeyOBWLUGZXCQEPPM-UHFFFAOYSA-N
MW387.39 g/mol
LogP2.70
Rot. Bonds6

About 3,4-dimethoxy-N-(4-morpholin-4-yl-3-nitrophenyl)benzamide

3,4-dimethoxy-N-(4-morpholin-4-yl-3-nitrophenyl)benzamide (PubChem CID 17127084) has the molecular formula C19H21N3O6 and a molecular weight of 387.39 g/mol. Its IUPAC name is 3,4-dimethoxy-N-(4-morpholin-4-yl-3-nitrophenyl)benzamide.

Molecular Properties

Compound Name3,4-dimethoxy-N-(4-morpholin-4-yl-3-nitrophenyl)benzamide
PubChem CID17127084
Molecular FormulaC19H21N3O6
Molecular Weight387.39 g/mol
Exact Mass387.14
IUPAC Name3,4-dimethoxy-N-(4-morpholin-4-yl-3-nitrophenyl)benzamide
SMILESCOc1ccc(C(=O)Nc2ccc(N3CCOCC3)c([N+](=O)[O-])c2)cc1OC
InChIInChI=1S/C19H21N3O6/c1-26-17-6-3-13(11-18(17)27-2)19(23)20-14-4-5-15(16(12-14)22(24)25)21-7-9-28-10-8-21/h3-6,11-12H,7-10H2,1-2H3,(H,20,23)
InChIKeyOBWLUGZXCQEPPM-UHFFFAOYSA-N
XLogP2.70
TPSA103.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.39
LogP ≤ 52.70
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': '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
N-(4-methoxyphenyl)-4-morpholin-4-yl-3-nitrobenzamide
CID 2964862
N-(4-methoxy-3-nitrophenyl)-3-nitro-4-piperidin-1-ylbenzamide
CID 3979125
3,5-dichloro-4-methoxy-N-(4-morpholin-4-yl-3-nitrophenyl)benzamide
CID 17127080
N-(4-morpholin-4-yl-3-nitrophenyl)-4-nitrobenzamide
CID 17127125
N-(4-morpholin-4-yl-3-nitrophenyl)-4-propan-2-ylbenzamide
CID 17127057
ethyl 5-[(4-methoxy-3-nitrobenzoyl)amino]-2-morpholin-4-ylbenzoate
CID 4909958
N-(3-chloro-4-methylphenyl)-4-morpholin-4-yl-3-nitrobenzamide
CID 2903047
3-methoxy-N-[4-morpholin-4-yl-3-(trifluoromethyl)phenyl]-4-[2-nitro-4-(trifluoromethyl)phenoxy]benzamide
CID 16761441
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-morpholin-4-yl-3-nitrobenzamide
CID 2930417
N-(3-iodo-4-methylphenyl)-4-morpholin-4-yl-3-nitrobenzamide
CID 3299574
3,4-dimethyl-N-[(4-morpholin-4-yl-3-nitrophenyl)carbamothioyl]benzamide
CID 17127219

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-N-(4-morpholin-4-yl-3-nitrophenyl)benzamide?
The IUPAC name of 3,4-dimethoxy-N-(4-morpholin-4-yl-3-nitrophenyl)benzamide (CID 17127084) is 3,4-dimethoxy-N-(4-morpholin-4-yl-3-nitrophenyl)benzamide.
What is the SMILES notation for 3,4-dimethoxy-N-(4-morpholin-4-yl-3-nitrophenyl)benzamide?
The canonical SMILES for 3,4-dimethoxy-N-(4-morpholin-4-yl-3-nitrophenyl)benzamide is COc1ccc(C(=O)Nc2ccc(N3CCOCC3)c([N+](=O)[O-])c2)cc1OC.
What is the InChIKey of 3,4-dimethoxy-N-(4-morpholin-4-yl-3-nitrophenyl)benzamide?
The InChIKey is OBWLUGZXCQEPPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O6/c1-26-17-6-3-13(11-18(17)27-2)19(23)20-14-4-5-15(16(12-14)22(24)25)21-7-9-28-10-8-21/h3-6,11-12H,7-10H2,1-2H3,(H,20,23).
What are the key properties of 3,4-dimethoxy-N-(4-morpholin-4-yl-3-nitrophenyl)benzamide?
3,4-dimethoxy-N-(4-morpholin-4-yl-3-nitrophenyl)benzamide has a molecular weight of 387.39 g/mol, XLogP of 2.70, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxy-N-(4-morpholin-4-yl-3-nitrophenyl)benzamide is sourced from PubChem (CID 17127084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).