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

C17H24N4O4 — CID 168533377

IUPAC2-[4-[(carbamoylhydrazinylidene)methyl]-2-methoxyphenoxy]-N-cyclohexylacetamide
SMILESCOc1cc(C=NNC(N)=O)ccc1OCC(=O)NC1CCCCC1
InChIInChI=1S/C17H24N4O4/c1-24-15-9-12(10-19-21-17(18)23)7-8-14(15)25-11-16(22)20-13-5-3-2-4-6-13/h7-10,13H,2-6,11H2,1H3,(H,20,22)(H3,18,21,23)
InChIKeyOYKGNHOFZQEKQK-UHFFFAOYSA-N
MW348.40 g/mol
LogP1.53
Rot. Bonds7

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

2-[4-[(carbamoylhydrazinylidene)methyl]-2-methoxyphenoxy]-N-cyclohexylacetamide (PubChem CID 168533377) has the molecular formula C17H24N4O4 and a molecular weight of 348.40 g/mol. Its IUPAC name is 2-[4-[(carbamoylhydrazinylidene)methyl]-2-methoxyphenoxy]-N-cyclohexylacetamide.

Molecular Properties

Compound Name2-[4-[(carbamoylhydrazinylidene)methyl]-2-methoxyphenoxy]-N-cyclohexylacetamide
PubChem CID168533377
Molecular FormulaC17H24N4O4
Molecular Weight348.40 g/mol
Exact Mass348.18
IUPAC Name2-[4-[(carbamoylhydrazinylidene)methyl]-2-methoxyphenoxy]-N-cyclohexylacetamide
SMILESCOc1cc(C=NNC(N)=O)ccc1OCC(=O)NC1CCCCC1
InChIInChI=1S/C17H24N4O4/c1-24-15-9-12(10-19-21-17(18)23)7-8-14(15)25-11-16(22)20-13-5-3-2-4-6-13/h7-10,13H,2-6,11H2,1H3,(H,20,22)(H3,18,21,23)
InChIKeyOYKGNHOFZQEKQK-UHFFFAOYSA-N
XLogP1.53
TPSA115.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 51.53
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-[2-bromo-4-[(carbamoylhydrazinylidene)methyl]-6-methoxyphenoxy]-N-cyclohexylacetamide
CID 168533387
2-[4-[(E)-(carbamoylhydrazinylidene)methyl]-2-methoxyphenoxy]-N-[(E)-(3,4-diethoxyphenyl)methylideneamino]acetamide
CID 19655720
[(Z)-(3,4-dimethoxyphenyl)methylideneamino]urea
CID 5354158
1-cyclohexyl-3-[(3,4-dimethoxyphenyl)methylideneamino]thiourea
CID 717820
1-cyclohexyl-3-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]thiourea
CID 5397037
4-[[2-[4-[(E)-(carbamoylhydrazinylidene)methyl]-2-methoxyphenoxy]acetyl]amino]benzoic acid
CID 19617899
2-[4-[(2-amino-4-methylimidazol-1-yl)iminomethyl]-2-methoxyphenoxy]-N-cyclohexylacetamide
CID 168630621
2-[4-[(Z)-(carbamoylhydrazinylidene)methyl]-2-methoxyphenoxy]-N-(4-ethoxyphenyl)acetamide
CID 9017322
propan-2-yl 2-[4-[(carbamoylhydrazinylidene)methyl]-2-methoxyphenoxy]acetate
CID 168533376
ethyl 2-[2-[2-[[4-[2-(cyclohexylamino)-2-oxoethoxy]-3-methoxyphenyl]methylidene]hydrazinyl]-1,3-thiazol-4-yl]acetate
CID 168624723
N-cyclopropyl-2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetamide
CID 7973430
1-cyclohexyl-3-[(4-ethoxy-3-methoxyphenyl)methylideneamino]thiourea
CID 4216944

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(carbamoylhydrazinylidene)methyl]-2-methoxyphenoxy]-N-cyclohexylacetamide?
The IUPAC name of 2-[4-[(carbamoylhydrazinylidene)methyl]-2-methoxyphenoxy]-N-cyclohexylacetamide (CID 168533377) is 2-[4-[(carbamoylhydrazinylidene)methyl]-2-methoxyphenoxy]-N-cyclohexylacetamide.
What is the SMILES notation for 2-[4-[(carbamoylhydrazinylidene)methyl]-2-methoxyphenoxy]-N-cyclohexylacetamide?
The canonical SMILES for 2-[4-[(carbamoylhydrazinylidene)methyl]-2-methoxyphenoxy]-N-cyclohexylacetamide is COc1cc(C=NNC(N)=O)ccc1OCC(=O)NC1CCCCC1.
What is the InChIKey of 2-[4-[(carbamoylhydrazinylidene)methyl]-2-methoxyphenoxy]-N-cyclohexylacetamide?
The InChIKey is OYKGNHOFZQEKQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O4/c1-24-15-9-12(10-19-21-17(18)23)7-8-14(15)25-11-16(22)20-13-5-3-2-4-6-13/h7-10,13H,2-6,11H2,1H3,(H,20,22)(H3,18,21,23).
What are the key properties of 2-[4-[(carbamoylhydrazinylidene)methyl]-2-methoxyphenoxy]-N-cyclohexylacetamide?
2-[4-[(carbamoylhydrazinylidene)methyl]-2-methoxyphenoxy]-N-cyclohexylacetamide has a molecular weight of 348.40 g/mol, XLogP of 1.53, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(carbamoylhydrazinylidene)methyl]-2-methoxyphenoxy]-N-cyclohexylacetamide is sourced from PubChem (CID 168533377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).