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

C26H29NO4 — CID 28677469

IUPAC2-(4-cyclohexylphenoxy)-N-[4-[5-(hydroxymethyl)furan-2-yl]-3-methylphenyl]acetamide
SMILESCc1cc(NC(=O)COc2ccc(C3CCCCC3)cc2)ccc1-c1ccc(CO)o1
InChIInChI=1S/C26H29NO4/c1-18-15-21(9-13-24(18)25-14-12-23(16-28)31-25)27-26(29)17-30-22-10-7-20(8-11-22)19-5-3-2-4-6-19/h7-15,19,28H,2-6,16-17H2,1H3,(H,27,29)
InChIKeyIMXULPCIGULKHI-UHFFFAOYSA-N
MW419.52 g/mol
LogP5.81
Rot. Bonds7

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

2-(4-cyclohexylphenoxy)-N-[4-[5-(hydroxymethyl)furan-2-yl]-3-methylphenyl]acetamide (PubChem CID 28677469) has the molecular formula C26H29NO4 and a molecular weight of 419.52 g/mol. Its IUPAC name is 2-(4-cyclohexylphenoxy)-N-[4-[5-(hydroxymethyl)furan-2-yl]-3-methylphenyl]acetamide.

Molecular Properties

Compound Name2-(4-cyclohexylphenoxy)-N-[4-[5-(hydroxymethyl)furan-2-yl]-3-methylphenyl]acetamide
PubChem CID28677469
Molecular FormulaC26H29NO4
Molecular Weight419.52 g/mol
Exact Mass419.21
IUPAC Name2-(4-cyclohexylphenoxy)-N-[4-[5-(hydroxymethyl)furan-2-yl]-3-methylphenyl]acetamide
SMILESCc1cc(NC(=O)COc2ccc(C3CCCCC3)cc2)ccc1-c1ccc(CO)o1
InChIInChI=1S/C26H29NO4/c1-18-15-21(9-13-24(18)25-14-12-23(16-28)31-25)27-26(29)17-30-22-10-7-20(8-11-22)19-5-3-2-4-6-19/h7-15,19,28H,2-6,16-17H2,1H3,(H,27,29)
InChIKeyIMXULPCIGULKHI-UHFFFAOYSA-N
XLogP5.81
TPSA71.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.52
LogP ≤ 55.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-cyclohexylphenoxy)-N-[4-[5-(hydroxymethyl)furan-2-yl]-3-methoxyphenyl]acetamide
CID 28677475
2-(4-ethylphenoxy)-N-[4-[5-(hydroxymethyl)furan-2-yl]-3-methylphenyl]acetamide
CID 28675840
N-[4-[5-(hydroxymethyl)furan-2-yl]-3-methoxyphenyl]-2-(4-methoxyphenoxy)acetamide
CID 28676973
2-(4-cyclohexylphenoxy)-N-naphthalen-2-ylacetamide
CID 21234083
N-[4-[5-(hydroxymethyl)furan-2-yl]-3-methylphenyl]-4-methylpentanamide
CID 28665965
N-[4-[[2-(4-cyclohexylphenoxy)acetyl]amino]-2-methylphenyl]-1-benzofuran-2-carboxamide
CID 17117640
N-[4-chloro-3-[5-(hydroxymethyl)furan-2-yl]phenyl]-2-(4-ethylphenoxy)acetamide
CID 28675834
2-(4-bromophenoxy)-N-[3-[5-(hydroxymethyl)furan-2-yl]-4-methoxyphenyl]acetamide
CID 28676197
4-[[2-(4-cyclohexylphenoxy)acetyl]amino]benzoic acid
CID 17172239
N-[4-[5-(hydroxymethyl)furan-2-yl]-3-methoxyphenyl]-2-(4-nitrophenoxy)acetamide
CID 28677391
2-chloro-4-[[2-(4-cyclohexylphenoxy)acetyl]amino]benzoic acid
CID 28677426
2-(4-cyclohexylphenoxy)-N-[4-(diethylaminomethyl)phenyl]acetamide
CID 19630470

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclohexylphenoxy)-N-[4-[5-(hydroxymethyl)furan-2-yl]-3-methylphenyl]acetamide?
The IUPAC name of 2-(4-cyclohexylphenoxy)-N-[4-[5-(hydroxymethyl)furan-2-yl]-3-methylphenyl]acetamide (CID 28677469) is 2-(4-cyclohexylphenoxy)-N-[4-[5-(hydroxymethyl)furan-2-yl]-3-methylphenyl]acetamide.
What is the SMILES notation for 2-(4-cyclohexylphenoxy)-N-[4-[5-(hydroxymethyl)furan-2-yl]-3-methylphenyl]acetamide?
The canonical SMILES for 2-(4-cyclohexylphenoxy)-N-[4-[5-(hydroxymethyl)furan-2-yl]-3-methylphenyl]acetamide is Cc1cc(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-methylphenyl]acetamide?
The InChIKey is IMXULPCIGULKHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29NO4/c1-18-15-21(9-13-24(18)25-14-12-23(16-28)31-25)27-26(29)17-30-22-10-7-20(8-11-22)19-5-3-2-4-6-19/h7-15,19,28H,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-methylphenyl]acetamide?
2-(4-cyclohexylphenoxy)-N-[4-[5-(hydroxymethyl)furan-2-yl]-3-methylphenyl]acetamide has a molecular weight of 419.52 g/mol, XLogP of 5.81, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclohexylphenoxy)-N-[4-[5-(hydroxymethyl)furan-2-yl]-3-methylphenyl]acetamide is sourced from PubChem (CID 28677469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).