2-[2-bromo-4-[(carbamoylhydrazinylidene)methyl]-6-methoxyphenoxy]-N-cyclohexylacetamide

C17H23BrN4O4 — CID 168533387

IUPAC2-[2-bromo-4-[(carbamoylhydrazinylidene)methyl]-6-methoxyphenoxy]-N-cyclohexylacetamide
SMILESCOc1cc(C=NNC(N)=O)cc(Br)c1OCC(=O)NC1CCCCC1
InChIInChI=1S/C17H23BrN4O4/c1-25-14-8-11(9-20-22-17(19)24)7-13(18)16(14)26-10-15(23)21-12-5-3-2-4-6-12/h7-9,12H,2-6,10H2,1H3,(H,21,23)(H3,19,22,24)
InChIKeyRJMSZMJLEWPGAJ-UHFFFAOYSA-N
MW427.30 g/mol
LogP2.29
Rot. Bonds7

About 2-[2-bromo-4-[(carbamoylhydrazinylidene)methyl]-6-methoxyphenoxy]-N-cyclohexylacetamide

2-[2-bromo-4-[(carbamoylhydrazinylidene)methyl]-6-methoxyphenoxy]-N-cyclohexylacetamide (PubChem CID 168533387) has the molecular formula C17H23BrN4O4 and a molecular weight of 427.30 g/mol. Its IUPAC name is 2-[2-bromo-4-[(carbamoylhydrazinylidene)methyl]-6-methoxyphenoxy]-N-cyclohexylacetamide.

Molecular Properties

Compound Name2-[2-bromo-4-[(carbamoylhydrazinylidene)methyl]-6-methoxyphenoxy]-N-cyclohexylacetamide
PubChem CID168533387
Molecular FormulaC17H23BrN4O4
Molecular Weight427.30 g/mol
Exact Mass426.09
IUPAC Name2-[2-bromo-4-[(carbamoylhydrazinylidene)methyl]-6-methoxyphenoxy]-N-cyclohexylacetamide
SMILESCOc1cc(C=NNC(N)=O)cc(Br)c1OCC(=O)NC1CCCCC1
InChIInChI=1S/C17H23BrN4O4/c1-25-14-8-11(9-20-22-17(19)24)7-13(18)16(14)26-10-15(23)21-12-5-3-2-4-6-12/h7-9,12H,2-6,10H2,1H3,(H,21,23)(H3,19,22,24)
InChIKeyRJMSZMJLEWPGAJ-UHFFFAOYSA-N
XLogP2.29
TPSA115.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.30
LogP ≤ 52.29
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-[(carbamoylhydrazinylidene)methyl]-2-methoxyphenoxy]-N-cyclohexylacetamide
CID 168533377
2-[2-bromo-4-[(carbamoylhydrazinylidene)methyl]-6-methoxyphenoxy]acetic acid
CID 840658
2-[2-bromo-6-methoxy-4-[[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenoxy]-N-cyclohexylacetamide
CID 168578265
N'-[(Z)-(3-bromo-4-ethoxy-5-methoxyphenyl)methylideneamino]-N-cyclopropyloxamide
CID 8931721
2-[2-bromo-4-[(carbamothioylhydrazinylidene)methyl]-6-methoxyphenoxy]acetamide
CID 57363032
[(E)-[3-bromo-4-[(4-chlorophenyl)methoxy]-5-methoxyphenyl]methylideneamino]urea
CID 6872768
2-(2,6-dibromo-4-methoxyphenoxy)-N-[(3,4,5-trimethoxyphenyl)methylideneamino]acetamide
CID 3980653
N-[(E)-(3-bromo-5-methoxy-4-propoxyphenyl)methylideneamino]cyclopropanecarboxamide
CID 6908744
N-[(E)-[4-(2-amino-2-oxoethoxy)-3-bromo-5-methoxyphenyl]methylideneamino]-4-methylbenzamide
CID 126263379
2-(4-amino-2,6-dibromophenoxy)-N-cyclohexylacetamide
CID 43351708
N-[(E)-(3-bromo-4,5-dimethoxyphenyl)methylideneamino]-2-(2-ethoxyphenoxy)acetamide
CID 19190612
2-[2-bromo-4-[(Z)-[(2-cyanoacetyl)hydrazinylidene]methyl]-6-methoxyphenoxy]acetic acid
CID 40553322

Frequently Asked Questions

What is the IUPAC name of 2-[2-bromo-4-[(carbamoylhydrazinylidene)methyl]-6-methoxyphenoxy]-N-cyclohexylacetamide?
The IUPAC name of 2-[2-bromo-4-[(carbamoylhydrazinylidene)methyl]-6-methoxyphenoxy]-N-cyclohexylacetamide (CID 168533387) is 2-[2-bromo-4-[(carbamoylhydrazinylidene)methyl]-6-methoxyphenoxy]-N-cyclohexylacetamide.
What is the SMILES notation for 2-[2-bromo-4-[(carbamoylhydrazinylidene)methyl]-6-methoxyphenoxy]-N-cyclohexylacetamide?
The canonical SMILES for 2-[2-bromo-4-[(carbamoylhydrazinylidene)methyl]-6-methoxyphenoxy]-N-cyclohexylacetamide is COc1cc(C=NNC(N)=O)cc(Br)c1OCC(=O)NC1CCCCC1.
What is the InChIKey of 2-[2-bromo-4-[(carbamoylhydrazinylidene)methyl]-6-methoxyphenoxy]-N-cyclohexylacetamide?
The InChIKey is RJMSZMJLEWPGAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23BrN4O4/c1-25-14-8-11(9-20-22-17(19)24)7-13(18)16(14)26-10-15(23)21-12-5-3-2-4-6-12/h7-9,12H,2-6,10H2,1H3,(H,21,23)(H3,19,22,24).
What are the key properties of 2-[2-bromo-4-[(carbamoylhydrazinylidene)methyl]-6-methoxyphenoxy]-N-cyclohexylacetamide?
2-[2-bromo-4-[(carbamoylhydrazinylidene)methyl]-6-methoxyphenoxy]-N-cyclohexylacetamide has a molecular weight of 427.30 g/mol, XLogP of 2.29, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-bromo-4-[(carbamoylhydrazinylidene)methyl]-6-methoxyphenoxy]-N-cyclohexylacetamide is sourced from PubChem (CID 168533387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).