N'-ethyl-N'-(4-methylphenyl)-2-morpholin-4-yl-5-nitrobenzohydrazide

C20H24N4O4 — CID 9182334

IUPACN'-ethyl-N'-(4-methylphenyl)-2-morpholin-4-yl-5-nitrobenzohydrazide
SMILESCCN(NC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1)c1ccc(C)cc1
InChIInChI=1S/C20H24N4O4/c1-3-23(16-6-4-15(2)5-7-16)21-20(25)18-14-17(24(26)27)8-9-19(18)22-10-12-28-13-11-22/h4-9,14H,3,10-13H2,1-2H3,(H,21,25)
InChIKeyKIPDBZVCAHEPRU-UHFFFAOYSA-N
MW384.44 g/mol
LogP2.91
Rot. Bonds6

About N'-ethyl-N'-(4-methylphenyl)-2-morpholin-4-yl-5-nitrobenzohydrazide

N'-ethyl-N'-(4-methylphenyl)-2-morpholin-4-yl-5-nitrobenzohydrazide (PubChem CID 9182334) has the molecular formula C20H24N4O4 and a molecular weight of 384.44 g/mol. Its IUPAC name is N'-ethyl-N'-(4-methylphenyl)-2-morpholin-4-yl-5-nitrobenzohydrazide.

Molecular Properties

Compound NameN'-ethyl-N'-(4-methylphenyl)-2-morpholin-4-yl-5-nitrobenzohydrazide
PubChem CID9182334
Molecular FormulaC20H24N4O4
Molecular Weight384.44 g/mol
Exact Mass384.18
IUPAC NameN'-ethyl-N'-(4-methylphenyl)-2-morpholin-4-yl-5-nitrobenzohydrazide
SMILESCCN(NC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1)c1ccc(C)cc1
InChIInChI=1S/C20H24N4O4/c1-3-23(16-6-4-15(2)5-7-16)21-20(25)18-14-17(24(26)27)8-9-19(18)22-10-12-28-13-11-22/h4-9,14H,3,10-13H2,1-2H3,(H,21,25)
InChIKeyKIPDBZVCAHEPRU-UHFFFAOYSA-N
XLogP2.91
TPSA87.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 52.91
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'}

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Related Compounds

2-morpholin-4-yl-5-nitro-N-pentylbenzamide
CID 29196205
N-(2-ethyl-6-methylphenyl)-2-morpholin-4-yl-5-nitrobenzamide
CID 4028000
[4-(4-methylphenyl)piperazin-1-yl]-(2-morpholin-4-yl-5-nitrophenyl)methanone
CID 44580260
N-(furan-2-ylmethyl)-N-(4-methylphenyl)-2-morpholin-4-yl-5-nitrobenzamide
CID 31963935
2-morpholin-4-yl-5-nitro-N-(2,2,2-trifluoroethyl)benzamide
CID 37266897
N-(5-methyl-1,2-oxazol-3-yl)-2-morpholin-4-yl-5-nitrobenzamide
CID 5298951
2-morpholin-4-yl-5-nitro-N-[(2,4,6-trimethylphenyl)carbamothioyl]benzamide
CID 22778849
2-morpholin-4-yl-5-nitro-N-(2-nitrophenyl)benzamide
CID 3524695
[2-[N-(2-cyanoethyl)-4-methylanilino]-2-oxoethyl] 2-morpholin-4-yl-5-nitrobenzoate
CID 16959005
N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-morpholin-4-yl-5-nitrobenzamide
CID 5298949
2-morpholin-4-yl-5-nitro-N-(1-propylpiperidin-4-yl)benzamide
CID 78809781
N-(4-butan-2-ylphenyl)-2-morpholin-4-yl-5-nitrobenzamide
CID 19629642

Frequently Asked Questions

What is the IUPAC name of N'-ethyl-N'-(4-methylphenyl)-2-morpholin-4-yl-5-nitrobenzohydrazide?
The IUPAC name of N'-ethyl-N'-(4-methylphenyl)-2-morpholin-4-yl-5-nitrobenzohydrazide (CID 9182334) is N'-ethyl-N'-(4-methylphenyl)-2-morpholin-4-yl-5-nitrobenzohydrazide.
What is the SMILES notation for N'-ethyl-N'-(4-methylphenyl)-2-morpholin-4-yl-5-nitrobenzohydrazide?
The canonical SMILES for N'-ethyl-N'-(4-methylphenyl)-2-morpholin-4-yl-5-nitrobenzohydrazide is CCN(NC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1)c1ccc(C)cc1.
What is the InChIKey of N'-ethyl-N'-(4-methylphenyl)-2-morpholin-4-yl-5-nitrobenzohydrazide?
The InChIKey is KIPDBZVCAHEPRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O4/c1-3-23(16-6-4-15(2)5-7-16)21-20(25)18-14-17(24(26)27)8-9-19(18)22-10-12-28-13-11-22/h4-9,14H,3,10-13H2,1-2H3,(H,21,25).
What are the key properties of N'-ethyl-N'-(4-methylphenyl)-2-morpholin-4-yl-5-nitrobenzohydrazide?
N'-ethyl-N'-(4-methylphenyl)-2-morpholin-4-yl-5-nitrobenzohydrazide has a molecular weight of 384.44 g/mol, XLogP of 2.91, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-N'-(4-methylphenyl)-2-morpholin-4-yl-5-nitrobenzohydrazide is sourced from PubChem (CID 9182334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).