N-[(4-cyclooctylphenyl)methyl]-2-[4-(hydroxymethyl)phenoxy]acetamide

C24H31NO3 — CID 142212171

IUPACN-[(4-cyclooctylphenyl)methyl]-2-[4-(hydroxymethyl)phenoxy]acetamide
SMILESO=C(COc1ccc(CO)cc1)NCc1ccc(C2CCCCCCC2)cc1
InChIInChI=1S/C24H31NO3/c26-17-20-10-14-23(15-11-20)28-18-24(27)25-16-19-8-12-22(13-9-19)21-6-4-2-1-3-5-7-21/h8-15,21,26H,1-7,16-18H2,(H,25,27)
InChIKeyLCKONHHQMWKDMA-UHFFFAOYSA-N
MW381.52 g/mol
LogP4.70
Rot. Bonds7

About N-[(4-cyclooctylphenyl)methyl]-2-[4-(hydroxymethyl)phenoxy]acetamide

N-[(4-cyclooctylphenyl)methyl]-2-[4-(hydroxymethyl)phenoxy]acetamide (PubChem CID 142212171) has the molecular formula C24H31NO3 and a molecular weight of 381.52 g/mol. Its IUPAC name is N-[(4-cyclooctylphenyl)methyl]-2-[4-(hydroxymethyl)phenoxy]acetamide.

Molecular Properties

Compound NameN-[(4-cyclooctylphenyl)methyl]-2-[4-(hydroxymethyl)phenoxy]acetamide
PubChem CID142212171
Molecular FormulaC24H31NO3
Molecular Weight381.52 g/mol
Exact Mass381.23
IUPAC NameN-[(4-cyclooctylphenyl)methyl]-2-[4-(hydroxymethyl)phenoxy]acetamide
SMILESO=C(COc1ccc(CO)cc1)NCc1ccc(C2CCCCCCC2)cc1
InChIInChI=1S/C24H31NO3/c26-17-20-10-14-23(15-11-20)28-18-24(27)25-16-19-8-12-22(13-9-19)21-6-4-2-1-3-5-7-21/h8-15,21,26H,1-7,16-18H2,(H,25,27)
InChIKeyLCKONHHQMWKDMA-UHFFFAOYSA-N
XLogP4.70
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.52
LogP ≤ 54.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1,3-benzodioxol-5-ylmethyl)-2-(4-cyclohexylphenoxy)acetamide
CID 1128081
2-(4-cyclohexylphenoxy)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide
CID 1277920
N-cyclopentyl-2-[4-(hydroxymethyl)phenoxy]acetamide
CID 28561633
2-(4-cyclohexylphenoxy)-N-[2-(4-methylphenoxy)ethyl]acetamide
CID 621407
2-(4-cyclopentylphenoxy)acetic acid
CID 23274257
4-[[2-(4-cyclohexylphenoxy)acetyl]amino]benzoic acid
CID 17172239
2-(4-cyclohexylphenoxy)-N-[4-(diethylaminomethyl)phenyl]acetamide
CID 19630470
1-cyclopentyl-2-[4-(hydroxymethyl)phenoxy]ethanone
CID 104751881
2-(4-cyclohexylphenoxy)-N-naphthalen-2-ylacetamide
CID 21234083
N-[(4-cyclopentylphenyl)methyl]acetamide
CID 66695215
1-[(4-cyclohexylphenyl)methyl]-3-methylurea
CID 115169108
2-(4-cyclohexylphenyl)-N-[(4-methoxyphenyl)methyl]-2-oxoacetamide
CID 44762851

Frequently Asked Questions

What is the IUPAC name of N-[(4-cyclooctylphenyl)methyl]-2-[4-(hydroxymethyl)phenoxy]acetamide?
The IUPAC name of N-[(4-cyclooctylphenyl)methyl]-2-[4-(hydroxymethyl)phenoxy]acetamide (CID 142212171) is N-[(4-cyclooctylphenyl)methyl]-2-[4-(hydroxymethyl)phenoxy]acetamide.
What is the SMILES notation for N-[(4-cyclooctylphenyl)methyl]-2-[4-(hydroxymethyl)phenoxy]acetamide?
The canonical SMILES for N-[(4-cyclooctylphenyl)methyl]-2-[4-(hydroxymethyl)phenoxy]acetamide is O=C(COc1ccc(CO)cc1)NCc1ccc(C2CCCCCCC2)cc1.
What is the InChIKey of N-[(4-cyclooctylphenyl)methyl]-2-[4-(hydroxymethyl)phenoxy]acetamide?
The InChIKey is LCKONHHQMWKDMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31NO3/c26-17-20-10-14-23(15-11-20)28-18-24(27)25-16-19-8-12-22(13-9-19)21-6-4-2-1-3-5-7-21/h8-15,21,26H,1-7,16-18H2,(H,25,27).
What are the key properties of N-[(4-cyclooctylphenyl)methyl]-2-[4-(hydroxymethyl)phenoxy]acetamide?
N-[(4-cyclooctylphenyl)methyl]-2-[4-(hydroxymethyl)phenoxy]acetamide has a molecular weight of 381.52 g/mol, XLogP of 4.70, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-cyclooctylphenyl)methyl]-2-[4-(hydroxymethyl)phenoxy]acetamide is sourced from PubChem (CID 142212171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).