N-(2-ethyl-6-methylphenyl)-2-morpholin-4-yl-5-nitrobenzamide

C20H23N3O4 — CID 4028000

IUPACN-(2-ethyl-6-methylphenyl)-2-morpholin-4-yl-5-nitrobenzamide
SMILESCCc1cccc(C)c1NC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1
InChIInChI=1S/C20H23N3O4/c1-3-15-6-4-5-14(2)19(15)21-20(24)17-13-16(23(25)26)7-8-18(17)22-9-11-27-12-10-22/h4-8,13H,3,9-12H2,1-2H3,(H,21,24)
InChIKeyMDXPYJORWRDWHD-UHFFFAOYSA-N
MW369.42 g/mol
LogP3.55
Rot. Bonds5

About N-(2-ethyl-6-methylphenyl)-2-morpholin-4-yl-5-nitrobenzamide

N-(2-ethyl-6-methylphenyl)-2-morpholin-4-yl-5-nitrobenzamide (PubChem CID 4028000) has the molecular formula C20H23N3O4 and a molecular weight of 369.42 g/mol. Its IUPAC name is N-(2-ethyl-6-methylphenyl)-2-morpholin-4-yl-5-nitrobenzamide.

Molecular Properties

Compound NameN-(2-ethyl-6-methylphenyl)-2-morpholin-4-yl-5-nitrobenzamide
PubChem CID4028000
Molecular FormulaC20H23N3O4
Molecular Weight369.42 g/mol
Exact Mass369.17
IUPAC NameN-(2-ethyl-6-methylphenyl)-2-morpholin-4-yl-5-nitrobenzamide
SMILESCCc1cccc(C)c1NC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1
InChIInChI=1S/C20H23N3O4/c1-3-15-6-4-5-14(2)19(15)21-20(24)17-13-16(23(25)26)7-8-18(17)22-9-11-27-12-10-22/h4-8,13H,3,9-12H2,1-2H3,(H,21,24)
InChIKeyMDXPYJORWRDWHD-UHFFFAOYSA-N
XLogP3.55
TPSA84.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

N-(2,6-difluorophenyl)-2-morpholin-4-yl-5-nitrobenzamide
CID 51158852
N-(4-methyl-1,3-benzothiazol-2-yl)-2-morpholin-4-yl-5-nitrobenzamide
CID 7408940
2-morpholin-4-yl-N-naphthalen-1-yl-5-nitrobenzamide
CID 7900478
N-(4-bromo-3-methylphenyl)-2-morpholin-4-yl-5-nitrobenzamide
CID 22777311
N-(4-chloro-2-methylphenyl)-2-morpholin-4-yl-5-nitrobenzamide
CID 7408771
N-(5-methyl-1,2-oxazol-3-yl)-2-morpholin-4-yl-5-nitrobenzamide
CID 5298951
N-(2,6-dimethylphenyl)-2-[4-(2-morpholin-4-yl-5-nitrobenzoyl)piperazin-1-yl]acetamide
CID 55369612
N-[3-(methylcarbamoyl)phenyl]-2-morpholin-4-yl-5-nitrobenzamide
CID 18084314
2-methyl-N-(2-morpholin-4-yl-4-nitrophenyl)benzamide
CID 17220821
2-morpholin-4-yl-5-nitro-N-(2-nitrophenyl)benzamide
CID 3524695
N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-morpholin-4-yl-5-nitrobenzamide
CID 5298949
N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]-2-morpholin-4-yl-5-nitrobenzamide
CID 55335619

Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-6-methylphenyl)-2-morpholin-4-yl-5-nitrobenzamide?
The IUPAC name of N-(2-ethyl-6-methylphenyl)-2-morpholin-4-yl-5-nitrobenzamide (CID 4028000) is N-(2-ethyl-6-methylphenyl)-2-morpholin-4-yl-5-nitrobenzamide.
What is the SMILES notation for N-(2-ethyl-6-methylphenyl)-2-morpholin-4-yl-5-nitrobenzamide?
The canonical SMILES for N-(2-ethyl-6-methylphenyl)-2-morpholin-4-yl-5-nitrobenzamide is CCc1cccc(C)c1NC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1.
What is the InChIKey of N-(2-ethyl-6-methylphenyl)-2-morpholin-4-yl-5-nitrobenzamide?
The InChIKey is MDXPYJORWRDWHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O4/c1-3-15-6-4-5-14(2)19(15)21-20(24)17-13-16(23(25)26)7-8-18(17)22-9-11-27-12-10-22/h4-8,13H,3,9-12H2,1-2H3,(H,21,24).
What are the key properties of N-(2-ethyl-6-methylphenyl)-2-morpholin-4-yl-5-nitrobenzamide?
N-(2-ethyl-6-methylphenyl)-2-morpholin-4-yl-5-nitrobenzamide has a molecular weight of 369.42 g/mol, XLogP of 3.55, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-6-methylphenyl)-2-morpholin-4-yl-5-nitrobenzamide is sourced from PubChem (CID 4028000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).