N-(1-cyclohexyl-3-hydroxypropyl)-2-(3-methoxyphenoxy)acetamide

C18H27NO4 — CID 75390435

IUPACN-(1-cyclohexyl-3-hydroxypropyl)-2-(3-methoxyphenoxy)acetamide
SMILESCOc1cccc(OCC(=O)NC(CCO)C2CCCCC2)c1
InChIInChI=1S/C18H27NO4/c1-22-15-8-5-9-16(12-15)23-13-18(21)19-17(10-11-20)14-6-3-2-4-7-14/h5,8-9,12,14,17,20H,2-4,6-7,10-11,13H2,1H3,(H,19,21)
InChIKeyVRAGGLRMDVXOJJ-UHFFFAOYSA-N
MW321.42 g/mol
LogP2.52
Rot. Bonds8

About N-(1-cyclohexyl-3-hydroxypropyl)-2-(3-methoxyphenoxy)acetamide

N-(1-cyclohexyl-3-hydroxypropyl)-2-(3-methoxyphenoxy)acetamide (PubChem CID 75390435) has the molecular formula C18H27NO4 and a molecular weight of 321.42 g/mol. Its IUPAC name is N-(1-cyclohexyl-3-hydroxypropyl)-2-(3-methoxyphenoxy)acetamide.

Molecular Properties

Compound NameN-(1-cyclohexyl-3-hydroxypropyl)-2-(3-methoxyphenoxy)acetamide
PubChem CID75390435
Molecular FormulaC18H27NO4
Molecular Weight321.42 g/mol
Exact Mass321.19
IUPAC NameN-(1-cyclohexyl-3-hydroxypropyl)-2-(3-methoxyphenoxy)acetamide
SMILESCOc1cccc(OCC(=O)NC(CCO)C2CCCCC2)c1
InChIInChI=1S/C18H27NO4/c1-22-15-8-5-9-16(12-15)23-13-18(21)19-17(10-11-20)14-6-3-2-4-7-14/h5,8-9,12,14,17,20H,2-4,6-7,10-11,13H2,1H3,(H,19,21)
InChIKeyVRAGGLRMDVXOJJ-UHFFFAOYSA-N
XLogP2.52
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2S)-2-cyclohexyl-2-hydroxyethyl]-2-(3-methoxyphenoxy)acetamide
CID 95983036
2-(3-methoxyphenoxy)-N-propan-2-ylacetamide
CID 4149029
N-(2-amino-1-cyclohexylethyl)-2-(3-methylphenoxy)acetamide;hydrochloride
CID 119591056
(2R)-2-[[2-(3-methoxyphenoxy)acetyl]amino]propanoic acid
CID 7722413
N-(2-amino-1-cyclopropylethyl)-2-(3-methylphenoxy)acetamide
CID 119616033
2-(3-methoxyphenoxy)-N-(1-methoxypropan-2-yl)acetamide
CID 78760764
2-(3-methoxyphenoxy)-1-[(3R)-3-(methylamino)piperidin-1-yl]ethanone
CID 124574816
2-(3-acetylphenoxy)-N-[(R)-cyano(cyclohexyl)methyl]acetamide
CID 95788640
2-(3-methoxyphenoxy)-N-(1-phenylethyl)acetamide
CID 19204047
1-cyclopentyl-N-ethyl-2-(3-methoxyphenoxy)ethanamine
CID 104748428
N-(2-amino-1-cyclohexylethyl)-2-(4-ethoxyphenoxy)acetamide
CID 119590687
N-(2-amino-1-cyclohexylethyl)-3-methoxybenzamide;hydrochloride
CID 119591989

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclohexyl-3-hydroxypropyl)-2-(3-methoxyphenoxy)acetamide?
The IUPAC name of N-(1-cyclohexyl-3-hydroxypropyl)-2-(3-methoxyphenoxy)acetamide (CID 75390435) is N-(1-cyclohexyl-3-hydroxypropyl)-2-(3-methoxyphenoxy)acetamide.
What is the SMILES notation for N-(1-cyclohexyl-3-hydroxypropyl)-2-(3-methoxyphenoxy)acetamide?
The canonical SMILES for N-(1-cyclohexyl-3-hydroxypropyl)-2-(3-methoxyphenoxy)acetamide is COc1cccc(OCC(=O)NC(CCO)C2CCCCC2)c1.
What is the InChIKey of N-(1-cyclohexyl-3-hydroxypropyl)-2-(3-methoxyphenoxy)acetamide?
The InChIKey is VRAGGLRMDVXOJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO4/c1-22-15-8-5-9-16(12-15)23-13-18(21)19-17(10-11-20)14-6-3-2-4-7-14/h5,8-9,12,14,17,20H,2-4,6-7,10-11,13H2,1H3,(H,19,21).
What are the key properties of N-(1-cyclohexyl-3-hydroxypropyl)-2-(3-methoxyphenoxy)acetamide?
N-(1-cyclohexyl-3-hydroxypropyl)-2-(3-methoxyphenoxy)acetamide has a molecular weight of 321.42 g/mol, XLogP of 2.52, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclohexyl-3-hydroxypropyl)-2-(3-methoxyphenoxy)acetamide is sourced from PubChem (CID 75390435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).