N'-[2-[(2-methoxy-5-methylphenyl)methyl-methylamino]acetyl]benzohydrazide

C19H23N3O3 — CID 8805511

IUPACN'-[2-[(2-methoxy-5-methylphenyl)methyl-methylamino]acetyl]benzohydrazide
SMILESCOc1ccc(C)cc1CN(C)CC(=O)NNC(=O)c1ccccc1
InChIInChI=1S/C19H23N3O3/c1-14-9-10-17(25-3)16(11-14)12-22(2)13-18(23)20-21-19(24)15-7-5-4-6-8-15/h4-11H,12-13H2,1-3H3,(H,20,23)(H,21,24)
InChIKeyZFSBMLCWCXODRA-UHFFFAOYSA-N
MW341.41 g/mol
LogP1.90
Rot. Bonds6

About N'-[2-[(2-methoxy-5-methylphenyl)methyl-methylamino]acetyl]benzohydrazide

N'-[2-[(2-methoxy-5-methylphenyl)methyl-methylamino]acetyl]benzohydrazide (PubChem CID 8805511) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is N'-[2-[(2-methoxy-5-methylphenyl)methyl-methylamino]acetyl]benzohydrazide.

Molecular Properties

Compound NameN'-[2-[(2-methoxy-5-methylphenyl)methyl-methylamino]acetyl]benzohydrazide
PubChem CID8805511
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC NameN'-[2-[(2-methoxy-5-methylphenyl)methyl-methylamino]acetyl]benzohydrazide
SMILESCOc1ccc(C)cc1CN(C)CC(=O)NNC(=O)c1ccccc1
InChIInChI=1S/C19H23N3O3/c1-14-9-10-17(25-3)16(11-14)12-22(2)13-18(23)20-21-19(24)15-7-5-4-6-8-15/h4-11H,12-13H2,1-3H3,(H,20,23)(H,21,24)
InChIKeyZFSBMLCWCXODRA-UHFFFAOYSA-N
XLogP1.90
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[(2-methoxy-5-methylphenyl)methyl-methylamino]-N-(phenylcarbamoyl)acetamide
CID 26647351
2-[(2-methoxy-5-methylphenyl)methyl-methylamino]-N-(2-methylsulfanylphenyl)acetamide
CID 9039794
methyl 4-[[2-[(2-methoxy-5-methylphenyl)methyl-methylamino]acetyl]amino]benzoate
CID 8805335
4-fluoro-N'-[2-(2-methoxy-5-methylphenyl)acetyl]benzohydrazide
CID 9038094
4-tert-butyl-N'-[2-(2-methoxy-5-methylphenyl)acetyl]benzohydrazide
CID 9327517
2-[[2-(2-benzoylhydrazinyl)-2-oxoethyl]-methylamino]acetic acid
CID 43442467
2-[[2-[(2-methoxy-5-methylphenyl)methyl-methylamino]acetyl]amino]-N-propylacetamide
CID 8805837
[2-[[(2-benzoyloxy-5-methylphenyl)methyl-methylamino]methyl]-4-methylphenyl] benzoate
CID 100999769
N'-[2-(2,4-dimethylphenoxy)acetyl]benzohydrazide
CID 909269
N'-[2-[(4-ethylphenyl)methyl-methylamino]acetyl]benzohydrazide
CID 8907587
N-[2-[2-(2-methoxy-5-methylphenyl)ethylamino]-2-oxoethyl]benzamide
CID 41309387
2-[(2-bromophenyl)methyl-methylamino]-N-(2-methoxy-5-methylphenyl)acetamide
CID 27204672

Frequently Asked Questions

What is the IUPAC name of N'-[2-[(2-methoxy-5-methylphenyl)methyl-methylamino]acetyl]benzohydrazide?
The IUPAC name of N'-[2-[(2-methoxy-5-methylphenyl)methyl-methylamino]acetyl]benzohydrazide (CID 8805511) is N'-[2-[(2-methoxy-5-methylphenyl)methyl-methylamino]acetyl]benzohydrazide.
What is the SMILES notation for N'-[2-[(2-methoxy-5-methylphenyl)methyl-methylamino]acetyl]benzohydrazide?
The canonical SMILES for N'-[2-[(2-methoxy-5-methylphenyl)methyl-methylamino]acetyl]benzohydrazide is COc1ccc(C)cc1CN(C)CC(=O)NNC(=O)c1ccccc1.
What is the InChIKey of N'-[2-[(2-methoxy-5-methylphenyl)methyl-methylamino]acetyl]benzohydrazide?
The InChIKey is ZFSBMLCWCXODRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3/c1-14-9-10-17(25-3)16(11-14)12-22(2)13-18(23)20-21-19(24)15-7-5-4-6-8-15/h4-11H,12-13H2,1-3H3,(H,20,23)(H,21,24).
What are the key properties of N'-[2-[(2-methoxy-5-methylphenyl)methyl-methylamino]acetyl]benzohydrazide?
N'-[2-[(2-methoxy-5-methylphenyl)methyl-methylamino]acetyl]benzohydrazide has a molecular weight of 341.41 g/mol, XLogP of 1.90, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-[(2-methoxy-5-methylphenyl)methyl-methylamino]acetyl]benzohydrazide is sourced from PubChem (CID 8805511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).