N'-[2-(2,3-dimethylphenoxy)propanoyl]-2-morpholin-4-yl-5-nitrobenzohydrazide

C22H26N4O6 — CID 55342004

IUPACN'-[2-(2,3-dimethylphenoxy)propanoyl]-2-morpholin-4-yl-5-nitrobenzohydrazide
SMILESCc1cccc(OC(C)C(=O)NNC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)c1C
InChIInChI=1S/C22H26N4O6/c1-14-5-4-6-20(15(14)2)32-16(3)21(27)23-24-22(28)18-13-17(26(29)30)7-8-19(18)25-9-11-31-12-10-25/h4-8,13,16H,9-12H2,1-3H3,(H,23,27)(H,24,28)
InChIKeyXKTFFPAJKNNWBE-UHFFFAOYSA-N
MW442.47 g/mol
LogP2.28
Rot. Bonds6

About N'-[2-(2,3-dimethylphenoxy)propanoyl]-2-morpholin-4-yl-5-nitrobenzohydrazide

N'-[2-(2,3-dimethylphenoxy)propanoyl]-2-morpholin-4-yl-5-nitrobenzohydrazide (PubChem CID 55342004) has the molecular formula C22H26N4O6 and a molecular weight of 442.47 g/mol. Its IUPAC name is N'-[2-(2,3-dimethylphenoxy)propanoyl]-2-morpholin-4-yl-5-nitrobenzohydrazide.

Molecular Properties

Compound NameN'-[2-(2,3-dimethylphenoxy)propanoyl]-2-morpholin-4-yl-5-nitrobenzohydrazide
PubChem CID55342004
Molecular FormulaC22H26N4O6
Molecular Weight442.47 g/mol
Exact Mass442.19
IUPAC NameN'-[2-(2,3-dimethylphenoxy)propanoyl]-2-morpholin-4-yl-5-nitrobenzohydrazide
SMILESCc1cccc(OC(C)C(=O)NNC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)c1C
InChIInChI=1S/C22H26N4O6/c1-14-5-4-6-20(15(14)2)32-16(3)21(27)23-24-22(28)18-13-17(26(29)30)7-8-19(18)25-9-11-31-12-10-25/h4-8,13,16H,9-12H2,1-3H3,(H,23,27)(H,24,28)
InChIKeyXKTFFPAJKNNWBE-UHFFFAOYSA-N
XLogP2.28
TPSA123.04 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.47
LogP ≤ 52.28
H-Bond Donors ≤ 52
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'}

Analyze N'-[2-(2,3-dimethylphenoxy)propanoyl]-2-morpholin-4-yl-5-nitrobenzohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-ethyl-6-methylphenyl)-2-morpholin-4-yl-5-nitrobenzamide
CID 4028000
N'-[2-(2,3-dimethylphenoxy)propanoyl]-6-morpholin-4-ylpyridine-3-carbohydrazide
CID 46698275
N-[(1R)-1-(4,5-dimethoxy-2-methylphenyl)ethyl]-2-morpholin-4-yl-5-nitrobenzamide
CID 51956651
2,5-dimethyl-N'-(2-morpholin-4-yl-5-nitrobenzoyl)-1-phenylpyrrole-3-carbohydrazide
CID 55376115
2-(2,3-dimethylphenoxy)-N'-[2-(6-nitro-3-oxo-1,4-benzoxazin-4-yl)acetyl]propanehydrazide
CID 46520127
N-(2,6-difluorophenyl)-2-morpholin-4-yl-5-nitrobenzamide
CID 51158852
N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]-2-morpholin-4-yl-5-nitrobenzamide
CID 46644047
N-(4-methyl-1,3-benzothiazol-2-yl)-2-morpholin-4-yl-5-nitrobenzamide
CID 7408940
2-morpholin-4-yl-5-nitro-N-(2-phenoxyphenyl)benzamide
CID 5037290
[4-[(2-methylphenyl)methyl]piperazin-1-yl]-(2-morpholin-4-yl-5-nitrophenyl)methanone
CID 9162549
N-[[2-(ethoxymethyl)phenyl]methyl]-2-morpholin-4-yl-5-nitrobenzamide
CID 55600348
(2S)-N-(2-chloro-5-nitrophenyl)-2-(2,3-dimethylphenoxy)propanamide
CID 92678067

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2,3-dimethylphenoxy)propanoyl]-2-morpholin-4-yl-5-nitrobenzohydrazide?
The IUPAC name of N'-[2-(2,3-dimethylphenoxy)propanoyl]-2-morpholin-4-yl-5-nitrobenzohydrazide (CID 55342004) is N'-[2-(2,3-dimethylphenoxy)propanoyl]-2-morpholin-4-yl-5-nitrobenzohydrazide.
What is the SMILES notation for N'-[2-(2,3-dimethylphenoxy)propanoyl]-2-morpholin-4-yl-5-nitrobenzohydrazide?
The canonical SMILES for N'-[2-(2,3-dimethylphenoxy)propanoyl]-2-morpholin-4-yl-5-nitrobenzohydrazide is Cc1cccc(OC(C)C(=O)NNC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)c1C.
What is the InChIKey of N'-[2-(2,3-dimethylphenoxy)propanoyl]-2-morpholin-4-yl-5-nitrobenzohydrazide?
The InChIKey is XKTFFPAJKNNWBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O6/c1-14-5-4-6-20(15(14)2)32-16(3)21(27)23-24-22(28)18-13-17(26(29)30)7-8-19(18)25-9-11-31-12-10-25/h4-8,13,16H,9-12H2,1-3H3,(H,23,27)(H,24,28).
What are the key properties of N'-[2-(2,3-dimethylphenoxy)propanoyl]-2-morpholin-4-yl-5-nitrobenzohydrazide?
N'-[2-(2,3-dimethylphenoxy)propanoyl]-2-morpholin-4-yl-5-nitrobenzohydrazide has a molecular weight of 442.47 g/mol, XLogP of 2.28, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2,3-dimethylphenoxy)propanoyl]-2-morpholin-4-yl-5-nitrobenzohydrazide is sourced from PubChem (CID 55342004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).