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

C18H19N3O5 — CID 2943709

IUPACN-(3-methoxyphenyl)-4-morpholin-4-yl-3-nitrobenzamide
SMILESCOc1cccc(NC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)c1
InChIInChI=1S/C18H19N3O5/c1-25-15-4-2-3-14(12-15)19-18(22)13-5-6-16(17(11-13)21(23)24)20-7-9-26-10-8-20/h2-6,11-12H,7-10H2,1H3,(H,19,22)
InChIKeyPDJJMGDWUYGJHS-UHFFFAOYSA-N
MW357.37 g/mol
LogP2.69
Rot. Bonds5

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

N-(3-methoxyphenyl)-4-morpholin-4-yl-3-nitrobenzamide (PubChem CID 2943709) has the molecular formula C18H19N3O5 and a molecular weight of 357.37 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-4-morpholin-4-yl-3-nitrobenzamide.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-4-morpholin-4-yl-3-nitrobenzamide
PubChem CID2943709
Molecular FormulaC18H19N3O5
Molecular Weight357.37 g/mol
Exact Mass357.13
IUPAC NameN-(3-methoxyphenyl)-4-morpholin-4-yl-3-nitrobenzamide
SMILESCOc1cccc(NC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)c1
InChIInChI=1S/C18H19N3O5/c1-25-15-4-2-3-14(12-15)19-18(22)13-5-6-16(17(11-13)21(23)24)20-7-9-26-10-8-20/h2-6,11-12H,7-10H2,1H3,(H,19,22)
InChIKeyPDJJMGDWUYGJHS-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

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CID 68867
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N-(2,5-Dimethoxyphenyl)-4-nitrobenzamide
CID 532160
4-{[3-(3,5-dimethylpiperidin-1-yl)propyl]amino}-N-(3-methoxyphenyl)-3-nitrobenzamide
CID 16194189
N-(3-methoxyphenyl)-3-(4-nitrophenyl)-3-oxopropanamide
CID 829367
3-[(3-Methoxyphenyl)amino]-1-(3-nitrophenyl)-1-propanone
CID 877418
4-methoxy-N-{2-[(2-nitrophenyl)amino]ethyl}benzamide
CID 2957272
4-{4-(Dimethylamino)-5-nitro-2-methoxybenzoyl}morpholine
CID 3116827
4-(4-Methoxyanilino)-3-nitrobenzamide
CID 4883496
N-(3-methoxyphenyl)-3-nitrobenzamide
CID 306640

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-4-morpholin-4-yl-3-nitrobenzamide?
The IUPAC name of N-(3-methoxyphenyl)-4-morpholin-4-yl-3-nitrobenzamide (CID 2943709) is N-(3-methoxyphenyl)-4-morpholin-4-yl-3-nitrobenzamide.
What is the SMILES notation for N-(3-methoxyphenyl)-4-morpholin-4-yl-3-nitrobenzamide?
The canonical SMILES for N-(3-methoxyphenyl)-4-morpholin-4-yl-3-nitrobenzamide is COc1cccc(NC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)c1.
What is the InChIKey of N-(3-methoxyphenyl)-4-morpholin-4-yl-3-nitrobenzamide?
The InChIKey is PDJJMGDWUYGJHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O5/c1-25-15-4-2-3-14(12-15)19-18(22)13-5-6-16(17(11-13)21(23)24)20-7-9-26-10-8-20/h2-6,11-12H,7-10H2,1H3,(H,19,22).
What are the key properties of N-(3-methoxyphenyl)-4-morpholin-4-yl-3-nitrobenzamide?
N-(3-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-(3-methoxyphenyl)-4-morpholin-4-yl-3-nitrobenzamide is sourced from PubChem (CID 2943709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).