N'-[2-(2,6-dimethylphenoxy)acetyl]-2-(methylamino)-5-nitrobenzohydrazide

C18H20N4O5 — CID 24531978

IUPACN'-[2-(2,6-dimethylphenoxy)acetyl]-2-(methylamino)-5-nitrobenzohydrazide
SMILESCNc1ccc([N+](=O)[O-])cc1C(=O)NNC(=O)COc1c(C)cccc1C
InChIInChI=1S/C18H20N4O5/c1-11-5-4-6-12(2)17(11)27-10-16(23)20-21-18(24)14-9-13(22(25)26)7-8-15(14)19-3/h4-9,19H,10H2,1-3H3,(H,20,23)(H,21,24)
InChIKeyLEZJTUHEDHHMPU-UHFFFAOYSA-N
MW372.38 g/mol
LogP2.09
Rot. Bonds6

About N'-[2-(2,6-dimethylphenoxy)acetyl]-2-(methylamino)-5-nitrobenzohydrazide

N'-[2-(2,6-dimethylphenoxy)acetyl]-2-(methylamino)-5-nitrobenzohydrazide (PubChem CID 24531978) has the molecular formula C18H20N4O5 and a molecular weight of 372.38 g/mol. Its IUPAC name is N'-[2-(2,6-dimethylphenoxy)acetyl]-2-(methylamino)-5-nitrobenzohydrazide.

Molecular Properties

Compound NameN'-[2-(2,6-dimethylphenoxy)acetyl]-2-(methylamino)-5-nitrobenzohydrazide
PubChem CID24531978
Molecular FormulaC18H20N4O5
Molecular Weight372.38 g/mol
Exact Mass372.14
IUPAC NameN'-[2-(2,6-dimethylphenoxy)acetyl]-2-(methylamino)-5-nitrobenzohydrazide
SMILESCNc1ccc([N+](=O)[O-])cc1C(=O)NNC(=O)COc1c(C)cccc1C
InChIInChI=1S/C18H20N4O5/c1-11-5-4-6-12(2)17(11)27-10-16(23)20-21-18(24)14-9-13(22(25)26)7-8-15(14)19-3/h4-9,19H,10H2,1-3H3,(H,20,23)(H,21,24)
InChIKeyLEZJTUHEDHHMPU-UHFFFAOYSA-N
XLogP2.09
TPSA122.60 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.38
LogP ≤ 52.09
H-Bond Donors ≤ 53
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

N'-[2-(2,6-dimethylphenoxy)acetyl]-4-nitrobenzohydrazide
CID 4503208
N'-(2-anilinoacetyl)-2-(methylamino)-5-nitrobenzohydrazide
CID 154759918
[2-(2,3-dimethylanilino)-2-oxoethyl] 2-(methylamino)-5-nitrobenzoate
CID 7752230
N-[[[2-(2,6-dimethylphenoxy)acetyl]amino]carbamothioyl]-3,5-dinitrobenzamide
CID 4506057
N'-[2-(4-methoxyanilino)acetyl]-2-(methylamino)-5-nitrobenzohydrazide
CID 55463130
2-chloro-N'-[2-(2-methylphenoxy)acetyl]-4-nitrobenzohydrazide
CID 3526771
2-(methylamino)-N-naphthalen-1-yl-5-nitrobenzamide
CID 16963020
N'-[2-(4-bromo-2,6-dimethylphenoxy)acetyl]-4-nitrobenzohydrazide
CID 3341760
[2-(2-fluoro-5-nitroanilino)-2-oxoethyl] 2-(2,6-dimethylphenoxy)acetate
CID 8528096
[2-(2-methoxy-5-nitroanilino)-2-oxoethyl] 2-(2,6-dimethylphenoxy)acetate
CID 8528067
4-(methylamino)-N'-[2-(2-methylphenoxy)acetyl]-3-nitrobenzohydrazide
CID 9157370
3-methoxy-N'-[2-(methylamino)-5-nitrobenzoyl]-4-(3-methylbutoxy)benzohydrazide
CID 24531838

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2,6-dimethylphenoxy)acetyl]-2-(methylamino)-5-nitrobenzohydrazide?
The IUPAC name of N'-[2-(2,6-dimethylphenoxy)acetyl]-2-(methylamino)-5-nitrobenzohydrazide (CID 24531978) is N'-[2-(2,6-dimethylphenoxy)acetyl]-2-(methylamino)-5-nitrobenzohydrazide.
What is the SMILES notation for N'-[2-(2,6-dimethylphenoxy)acetyl]-2-(methylamino)-5-nitrobenzohydrazide?
The canonical SMILES for N'-[2-(2,6-dimethylphenoxy)acetyl]-2-(methylamino)-5-nitrobenzohydrazide is CNc1ccc([N+](=O)[O-])cc1C(=O)NNC(=O)COc1c(C)cccc1C.
What is the InChIKey of N'-[2-(2,6-dimethylphenoxy)acetyl]-2-(methylamino)-5-nitrobenzohydrazide?
The InChIKey is LEZJTUHEDHHMPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O5/c1-11-5-4-6-12(2)17(11)27-10-16(23)20-21-18(24)14-9-13(22(25)26)7-8-15(14)19-3/h4-9,19H,10H2,1-3H3,(H,20,23)(H,21,24).
What are the key properties of N'-[2-(2,6-dimethylphenoxy)acetyl]-2-(methylamino)-5-nitrobenzohydrazide?
N'-[2-(2,6-dimethylphenoxy)acetyl]-2-(methylamino)-5-nitrobenzohydrazide has a molecular weight of 372.38 g/mol, XLogP of 2.09, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2,6-dimethylphenoxy)acetyl]-2-(methylamino)-5-nitrobenzohydrazide is sourced from PubChem (CID 24531978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).