N-cyclohexyl-2-[4-[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)methyl]-2-methoxyphenoxy]acetamide

C22H27NO7 — CID 168599253

IUPACN-cyclohexyl-2-[4-[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)methyl]-2-methoxyphenoxy]acetamide
SMILESCOc1cc(C=C2C(=O)OC(C)(C)OC2=O)ccc1OCC(=O)NC1CCCCC1
InChIInChI=1S/C22H27NO7/c1-22(2)29-20(25)16(21(26)30-22)11-14-9-10-17(18(12-14)27-3)28-13-19(24)23-15-7-5-4-6-8-15/h9-12,15H,4-8,13H2,1-3H3,(H,23,24)
InChIKeyCFDCCRXJTQJZEA-UHFFFAOYSA-N
MW417.46 g/mol
LogP2.74
Rot. Bonds6

About N-cyclohexyl-2-[4-[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)methyl]-2-methoxyphenoxy]acetamide

N-cyclohexyl-2-[4-[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)methyl]-2-methoxyphenoxy]acetamide (PubChem CID 168599253) has the molecular formula C22H27NO7 and a molecular weight of 417.46 g/mol. Its IUPAC name is N-cyclohexyl-2-[4-[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)methyl]-2-methoxyphenoxy]acetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-[4-[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)methyl]-2-methoxyphenoxy]acetamide
PubChem CID168599253
Molecular FormulaC22H27NO7
Molecular Weight417.46 g/mol
Exact Mass417.18
IUPAC NameN-cyclohexyl-2-[4-[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)methyl]-2-methoxyphenoxy]acetamide
SMILESCOc1cc(C=C2C(=O)OC(C)(C)OC2=O)ccc1OCC(=O)NC1CCCCC1
InChIInChI=1S/C22H27NO7/c1-22(2)29-20(25)16(21(26)30-22)11-14-9-10-17(18(12-14)27-3)28-13-19(24)23-15-7-5-4-6-8-15/h9-12,15H,4-8,13H2,1-3H3,(H,23,24)
InChIKeyCFDCCRXJTQJZEA-UHFFFAOYSA-N
XLogP2.74
TPSA100.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.46
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_six_het_A(483)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

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Related Compounds

2-[2-bromo-4-[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)methyl]-6-ethoxyphenoxy]-N-cyclohexylacetamide
CID 168599243
N-cyclopropyl-2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetamide
CID 7973430
2-(4-acetyl-2-methoxyphenoxy)-N-cyclooctylacetamide
CID 7962262
2-[4-[(carbamoylhydrazinylidene)methyl]-2-methoxyphenoxy]-N-cyclohexylacetamide
CID 168533377
N-cyclohexyl-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide
CID 18083381
N-cyclopropyl-2-[2-methoxy-4-[(3-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenoxy]acetamide
CID 77115441
N-cyclopentyl-2-[4-(1-hydroxyethyl)-2-methoxyphenoxy]acetamide
CID 43416744
3-[(3-methoxy-4-phenylmethoxyphenyl)methylidene]-1,5-dioxaspiro[5.5]undecane-2,4-dione
CID 3130452
3-[[4-[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)methyl]-2-methoxyphenoxy]methyl]-4-methoxybenzaldehyde
CID 168599325
N-cyclohexyl-2-(2-methoxy-5-nitrophenoxy)acetamide
CID 7931962
5-[(4-methoxy-3-propoxyphenyl)methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione
CID 168598244
2-[4-[(2-amino-4-methylimidazol-1-yl)iminomethyl]-2-methoxyphenoxy]-N-cyclohexylacetamide
CID 168630621

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[4-[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)methyl]-2-methoxyphenoxy]acetamide?
The IUPAC name of N-cyclohexyl-2-[4-[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)methyl]-2-methoxyphenoxy]acetamide (CID 168599253) is N-cyclohexyl-2-[4-[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)methyl]-2-methoxyphenoxy]acetamide.
What is the SMILES notation for N-cyclohexyl-2-[4-[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)methyl]-2-methoxyphenoxy]acetamide?
The canonical SMILES for N-cyclohexyl-2-[4-[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)methyl]-2-methoxyphenoxy]acetamide is COc1cc(C=C2C(=O)OC(C)(C)OC2=O)ccc1OCC(=O)NC1CCCCC1.
What is the InChIKey of N-cyclohexyl-2-[4-[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)methyl]-2-methoxyphenoxy]acetamide?
The InChIKey is CFDCCRXJTQJZEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27NO7/c1-22(2)29-20(25)16(21(26)30-22)11-14-9-10-17(18(12-14)27-3)28-13-19(24)23-15-7-5-4-6-8-15/h9-12,15H,4-8,13H2,1-3H3,(H,23,24).
What are the key properties of N-cyclohexyl-2-[4-[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)methyl]-2-methoxyphenoxy]acetamide?
N-cyclohexyl-2-[4-[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)methyl]-2-methoxyphenoxy]acetamide has a molecular weight of 417.46 g/mol, XLogP of 2.74, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-[4-[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)methyl]-2-methoxyphenoxy]acetamide is sourced from PubChem (CID 168599253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).