2-[4-[(E)-(carbamoylhydrazinylidene)methyl]-2-methoxyphenoxy]-N-(3,4-dimethylphenyl)acetamide

C19H22N4O4 — CID 6876206

IUPAC2-[4-[(E)-(carbamoylhydrazinylidene)methyl]-2-methoxyphenoxy]-N-(3,4-dimethylphenyl)acetamide
SMILESCOc1cc(/C=N/NC(N)=O)ccc1OCC(=O)Nc1ccc(C)c(C)c1
InChIInChI=1S/C19H22N4O4/c1-12-4-6-15(8-13(12)2)22-18(24)11-27-16-7-5-14(9-17(16)26-3)10-21-23-19(20)25/h4-10H,11H2,1-3H3,(H,22,24)(H3,20,23,25)/b21-10+
InChIKeyREUXRILBJVRRKD-UFFVCSGVSA-N
MW370.41 g/mol
LogP2.33
Rot. Bonds7

About 2-[4-[(E)-(carbamoylhydrazinylidene)methyl]-2-methoxyphenoxy]-N-(3,4-dimethylphenyl)acetamide

2-[4-[(E)-(carbamoylhydrazinylidene)methyl]-2-methoxyphenoxy]-N-(3,4-dimethylphenyl)acetamide (PubChem CID 6876206) has the molecular formula C19H22N4O4 and a molecular weight of 370.41 g/mol. Its IUPAC name is 2-[4-[(E)-(carbamoylhydrazinylidene)methyl]-2-methoxyphenoxy]-N-(3,4-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-[4-[(E)-(carbamoylhydrazinylidene)methyl]-2-methoxyphenoxy]-N-(3,4-dimethylphenyl)acetamide
PubChem CID6876206
Molecular FormulaC19H22N4O4
Molecular Weight370.41 g/mol
Exact Mass370.16
IUPAC Name2-[4-[(E)-(carbamoylhydrazinylidene)methyl]-2-methoxyphenoxy]-N-(3,4-dimethylphenyl)acetamide
SMILESCOc1cc(/C=N/NC(N)=O)ccc1OCC(=O)Nc1ccc(C)c(C)c1
InChIInChI=1S/C19H22N4O4/c1-12-4-6-15(8-13(12)2)22-18(24)11-27-16-7-5-14(9-17(16)26-3)10-21-23-19(20)25/h4-10H,11H2,1-3H3,(H,22,24)(H3,20,23,25)/b21-10+
InChIKeyREUXRILBJVRRKD-UFFVCSGVSA-N
XLogP2.33
TPSA115.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 52.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-{4-[2-(aminocarbonyl)carbohydrazonoyl]-2-bromo-6-ethoxyphenoxy}-N-(1-naphthyl)acetamide
CID 6873369
2-[4-[(E)-(carbamothioylhydrazinylidene)methyl]-2-methoxyphenoxy]-N-(4-methylphenyl)acetamide
CID 6874331
2-[2-bromo-4-[(E)-(carbamoylhydrazinylidene)methyl]-6-ethoxyphenoxy]-N-(2-methylphenyl)acetamide
CID 6874414
2-{4-[2-(aminocarbonyl)carbohydrazonoyl]-5-bromo-2-methoxyphenoxy}-N-(2-methylphenyl)acetamide
CID 6874576
(2E)-2-(4-{2-[(3,4-dimethylphenyl)amino]-2-oxoethoxy}-3-ethoxybenzylidene)hydrazinecarboxamide
CID 6876207
2-[4-[(E)-(carbamothioylhydrazinylidene)methyl]-2-methoxyphenoxy]-N-(3,4-dimethylphenyl)acetamide
CID 6876210
(2E)-2-{3-methoxy-4-[2-(2-methylphenoxy)ethoxy]benzylidene}-N-phenylhydrazinecarboxamide
CID 5344460
N-(3,4-dimethylphenyl)-2-{2-ethoxy-4-[2-(phenylacetyl)carbohydrazonoyl]phenoxy}acetamide
CID 5455662
N-(3,4-dimethylphenyl)-2-[2-methoxy-4-[(Z)-[(4-nitrophenyl)hydrazinylidene]methyl]phenoxy]acetamide
CID 5879932
2-[4-[(E)-(ethylcarbamothioylhydrazinylidene)methyl]phenoxy]-N-(4-methylphenyl)acetamide
CID 6875401
2-{4-[2-(aminocarbonyl)carbohydrazonoyl]-2-methoxyphenoxy}-N-(2-bromo-4,5-dimethylphenyl)acetamide
CID 6876208
2-[4-[(E)-(ethylcarbamothioylhydrazinylidene)methyl]-2-methoxyphenoxy]-N-(4-methoxyphenyl)acetamide
CID 6904350

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(E)-(carbamoylhydrazinylidene)methyl]-2-methoxyphenoxy]-N-(3,4-dimethylphenyl)acetamide?
The IUPAC name of 2-[4-[(E)-(carbamoylhydrazinylidene)methyl]-2-methoxyphenoxy]-N-(3,4-dimethylphenyl)acetamide (CID 6876206) is 2-[4-[(E)-(carbamoylhydrazinylidene)methyl]-2-methoxyphenoxy]-N-(3,4-dimethylphenyl)acetamide.
What is the SMILES notation for 2-[4-[(E)-(carbamoylhydrazinylidene)methyl]-2-methoxyphenoxy]-N-(3,4-dimethylphenyl)acetamide?
The canonical SMILES for 2-[4-[(E)-(carbamoylhydrazinylidene)methyl]-2-methoxyphenoxy]-N-(3,4-dimethylphenyl)acetamide is COc1cc(/C=N/NC(N)=O)ccc1OCC(=O)Nc1ccc(C)c(C)c1.
What is the InChIKey of 2-[4-[(E)-(carbamoylhydrazinylidene)methyl]-2-methoxyphenoxy]-N-(3,4-dimethylphenyl)acetamide?
The InChIKey is REUXRILBJVRRKD-UFFVCSGVSA-N. The full InChI is InChI=1S/C19H22N4O4/c1-12-4-6-15(8-13(12)2)22-18(24)11-27-16-7-5-14(9-17(16)26-3)10-21-23-19(20)25/h4-10H,11H2,1-3H3,(H,22,24)(H3,20,23,25)/b21-10+.
What are the key properties of 2-[4-[(E)-(carbamoylhydrazinylidene)methyl]-2-methoxyphenoxy]-N-(3,4-dimethylphenyl)acetamide?
2-[4-[(E)-(carbamoylhydrazinylidene)methyl]-2-methoxyphenoxy]-N-(3,4-dimethylphenyl)acetamide has a molecular weight of 370.41 g/mol, XLogP of 2.33, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(E)-(carbamoylhydrazinylidene)methyl]-2-methoxyphenoxy]-N-(3,4-dimethylphenyl)acetamide is sourced from PubChem (CID 6876206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).