2-(4-cyclohexylphenoxy)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide

C24H31NO5 — CID 1277920

IUPAC2-(4-cyclohexylphenoxy)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide
SMILESCOc1cc(CNC(=O)COc2ccc(C3CCCCC3)cc2)cc(OC)c1OC
InChIInChI=1S/C24H31NO5/c1-27-21-13-17(14-22(28-2)24(21)29-3)15-25-23(26)16-30-20-11-9-19(10-12-20)18-7-5-4-6-8-18/h9-14,18H,4-8,15-16H2,1-3H3,(H,25,26)
InChIKeyFWWLWBDGWKGENO-UHFFFAOYSA-N
MW413.51 g/mol
LogP4.46
Rot. Bonds9

About 2-(4-cyclohexylphenoxy)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide

2-(4-cyclohexylphenoxy)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide (PubChem CID 1277920) has the molecular formula C24H31NO5 and a molecular weight of 413.51 g/mol. Its IUPAC name is 2-(4-cyclohexylphenoxy)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(4-cyclohexylphenoxy)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide
PubChem CID1277920
Molecular FormulaC24H31NO5
Molecular Weight413.51 g/mol
Exact Mass413.22
IUPAC Name2-(4-cyclohexylphenoxy)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide
SMILESCOc1cc(CNC(=O)COc2ccc(C3CCCCC3)cc2)cc(OC)c1OC
InChIInChI=1S/C24H31NO5/c1-27-21-13-17(14-22(28-2)24(21)29-3)15-25-23(26)16-30-20-11-9-19(10-12-20)18-7-5-4-6-8-18/h9-14,18H,4-8,15-16H2,1-3H3,(H,25,26)
InChIKeyFWWLWBDGWKGENO-UHFFFAOYSA-N
XLogP4.46
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.51
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-fluorophenoxy)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide
CID 9012523
N-[(4-cyclooctylphenyl)methyl]-2-[4-(hydroxymethyl)phenoxy]acetamide
CID 142212171
2-(cyclooctylamino)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide
CID 8559125
N-(1,3-benzodioxol-5-ylmethyl)-2-(4-cyclohexylphenoxy)acetamide
CID 1128081
(E)-N-hydroxy-3-[4-[2-oxo-2-[(3,4,5-trimethoxyphenyl)methylamino]ethoxy]phenyl]prop-2-enamide
CID 24988428
2-[3,5-bis(trifluoromethyl)phenoxy]-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide
CID 34964094
2-(4-cyclohexylphenoxy)-N-[2-(4-methylphenoxy)ethyl]acetamide
CID 621407
2-(3-methoxy-4-nitrophenoxy)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide
CID 48850427
2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide
CID 41261420
2-(azocan-1-ium-1-yl)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide
CID 8680151
2-(cyclopropylmethylamino)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide
CID 119691576
4-ethoxy-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide
CID 41261598

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclohexylphenoxy)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide?
The IUPAC name of 2-(4-cyclohexylphenoxy)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide (CID 1277920) is 2-(4-cyclohexylphenoxy)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-(4-cyclohexylphenoxy)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide?
The canonical SMILES for 2-(4-cyclohexylphenoxy)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide is COc1cc(CNC(=O)COc2ccc(C3CCCCC3)cc2)cc(OC)c1OC.
What is the InChIKey of 2-(4-cyclohexylphenoxy)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide?
The InChIKey is FWWLWBDGWKGENO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31NO5/c1-27-21-13-17(14-22(28-2)24(21)29-3)15-25-23(26)16-30-20-11-9-19(10-12-20)18-7-5-4-6-8-18/h9-14,18H,4-8,15-16H2,1-3H3,(H,25,26).
What are the key properties of 2-(4-cyclohexylphenoxy)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide?
2-(4-cyclohexylphenoxy)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide has a molecular weight of 413.51 g/mol, XLogP of 4.46, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclohexylphenoxy)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide is sourced from PubChem (CID 1277920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).