2-(4-cyclohexylphenoxy)-N-[4-[5-(hydroxymethyl)furan-2-yl]-3-methoxyphenyl]acetamide

C26H29NO5 — CID 28677475

IUPAC2-(4-cyclohexylphenoxy)-N-[4-[5-(hydroxymethyl)furan-2-yl]-3-methoxyphenyl]acetamide
SMILESCOc1cc(NC(=O)COc2ccc(C3CCCCC3)cc2)ccc1-c1ccc(CO)o1
InChIInChI=1S/C26H29NO5/c1-30-25-15-20(9-13-23(25)24-14-12-22(16-28)32-24)27-26(29)17-31-21-10-7-19(8-11-21)18-5-3-2-4-6-18/h7-15,18,28H,2-6,16-17H2,1H3,(H,27,29)
InChIKeyACWIKLQJVNBQEX-UHFFFAOYSA-N
MW435.52 g/mol
LogP5.51
Rot. Bonds8

About 2-(4-cyclohexylphenoxy)-N-[4-[5-(hydroxymethyl)furan-2-yl]-3-methoxyphenyl]acetamide

2-(4-cyclohexylphenoxy)-N-[4-[5-(hydroxymethyl)furan-2-yl]-3-methoxyphenyl]acetamide (PubChem CID 28677475) has the molecular formula C26H29NO5 and a molecular weight of 435.52 g/mol. Its IUPAC name is 2-(4-cyclohexylphenoxy)-N-[4-[5-(hydroxymethyl)furan-2-yl]-3-methoxyphenyl]acetamide.

Molecular Properties

Compound Name2-(4-cyclohexylphenoxy)-N-[4-[5-(hydroxymethyl)furan-2-yl]-3-methoxyphenyl]acetamide
PubChem CID28677475
Molecular FormulaC26H29NO5
Molecular Weight435.52 g/mol
Exact Mass435.20
IUPAC Name2-(4-cyclohexylphenoxy)-N-[4-[5-(hydroxymethyl)furan-2-yl]-3-methoxyphenyl]acetamide
SMILESCOc1cc(NC(=O)COc2ccc(C3CCCCC3)cc2)ccc1-c1ccc(CO)o1
InChIInChI=1S/C26H29NO5/c1-30-25-15-20(9-13-23(25)24-14-12-22(16-28)32-24)27-26(29)17-31-21-10-7-19(8-11-21)18-5-3-2-4-6-18/h7-15,18,28H,2-6,16-17H2,1H3,(H,27,29)
InChIKeyACWIKLQJVNBQEX-UHFFFAOYSA-N
XLogP5.51
TPSA80.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.52
LogP ≤ 55.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-cyclohexylphenoxy)-N-[4-[5-(hydroxymethyl)furan-2-yl]-3-methylphenyl]acetamide
CID 28677469
N-[4-[5-(hydroxymethyl)furan-2-yl]-3-methoxyphenyl]-2-(4-methoxyphenoxy)acetamide
CID 28676973
N-[4-[5-(hydroxymethyl)furan-2-yl]-3-methoxyphenyl]-2-(4-nitrophenoxy)acetamide
CID 28677391
2-(4-bromophenoxy)-N-[3-[5-(hydroxymethyl)furan-2-yl]-4-methoxyphenyl]acetamide
CID 28676197
2-(4-cyclohexylphenoxy)-N-naphthalen-2-ylacetamide
CID 21234083
2-(4-ethylphenoxy)-N-[4-[5-(hydroxymethyl)furan-2-yl]-3-methylphenyl]acetamide
CID 28675840
2-(4-cyclohexylphenoxy)-N-[2-(4-methoxyphenyl)-1,3-benzoxazol-5-yl]acetamide
CID 17110910
N-[4-[5-(hydroxymethyl)furan-2-yl]-3-methoxyphenyl]naphthalene-2-carboxamide
CID 28668742
4-tert-butyl-N-[3-[[2-(4-cyclohexylphenoxy)acetyl]amino]phenyl]benzamide
CID 4034041
N-[4-chloro-3-[5-(hydroxymethyl)furan-2-yl]phenyl]-2-(4-ethylphenoxy)acetamide
CID 28675834
4-[[2-(4-cyclohexylphenoxy)acetyl]amino]benzoic acid
CID 17172239
2-chloro-4-[[2-(4-cyclohexylphenoxy)acetyl]amino]benzoic acid
CID 28677426

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclohexylphenoxy)-N-[4-[5-(hydroxymethyl)furan-2-yl]-3-methoxyphenyl]acetamide?
The IUPAC name of 2-(4-cyclohexylphenoxy)-N-[4-[5-(hydroxymethyl)furan-2-yl]-3-methoxyphenyl]acetamide (CID 28677475) is 2-(4-cyclohexylphenoxy)-N-[4-[5-(hydroxymethyl)furan-2-yl]-3-methoxyphenyl]acetamide.
What is the SMILES notation for 2-(4-cyclohexylphenoxy)-N-[4-[5-(hydroxymethyl)furan-2-yl]-3-methoxyphenyl]acetamide?
The canonical SMILES for 2-(4-cyclohexylphenoxy)-N-[4-[5-(hydroxymethyl)furan-2-yl]-3-methoxyphenyl]acetamide is COc1cc(NC(=O)COc2ccc(C3CCCCC3)cc2)ccc1-c1ccc(CO)o1.
What is the InChIKey of 2-(4-cyclohexylphenoxy)-N-[4-[5-(hydroxymethyl)furan-2-yl]-3-methoxyphenyl]acetamide?
The InChIKey is ACWIKLQJVNBQEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29NO5/c1-30-25-15-20(9-13-23(25)24-14-12-22(16-28)32-24)27-26(29)17-31-21-10-7-19(8-11-21)18-5-3-2-4-6-18/h7-15,18,28H,2-6,16-17H2,1H3,(H,27,29).
What are the key properties of 2-(4-cyclohexylphenoxy)-N-[4-[5-(hydroxymethyl)furan-2-yl]-3-methoxyphenyl]acetamide?
2-(4-cyclohexylphenoxy)-N-[4-[5-(hydroxymethyl)furan-2-yl]-3-methoxyphenyl]acetamide has a molecular weight of 435.52 g/mol, XLogP of 5.51, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclohexylphenoxy)-N-[4-[5-(hydroxymethyl)furan-2-yl]-3-methoxyphenyl]acetamide is sourced from PubChem (CID 28677475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).