N-[2-hydroxy-3-[(4-methoxyphenyl)methoxy]propyl]cyclohexanecarboxamide

C18H27NO4 — CID 51094307

IUPACN-[2-hydroxy-3-[(4-methoxyphenyl)methoxy]propyl]cyclohexanecarboxamide
SMILESCOc1ccc(COCC(O)CNC(=O)C2CCCCC2)cc1
InChIInChI=1S/C18H27NO4/c1-22-17-9-7-14(8-10-17)12-23-13-16(20)11-19-18(21)15-5-3-2-4-6-15/h7-10,15-16,20H,2-6,11-13H2,1H3,(H,19,21)
InChIKeyZOEIXHYONJVPCH-UHFFFAOYSA-N
MW321.42 g/mol
LogP2.27
Rot. Bonds8

About N-[2-hydroxy-3-[(4-methoxyphenyl)methoxy]propyl]cyclohexanecarboxamide

N-[2-hydroxy-3-[(4-methoxyphenyl)methoxy]propyl]cyclohexanecarboxamide (PubChem CID 51094307) has the molecular formula C18H27NO4 and a molecular weight of 321.42 g/mol. Its IUPAC name is N-[2-hydroxy-3-[(4-methoxyphenyl)methoxy]propyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[2-hydroxy-3-[(4-methoxyphenyl)methoxy]propyl]cyclohexanecarboxamide
PubChem CID51094307
Molecular FormulaC18H27NO4
Molecular Weight321.42 g/mol
Exact Mass321.19
IUPAC NameN-[2-hydroxy-3-[(4-methoxyphenyl)methoxy]propyl]cyclohexanecarboxamide
SMILESCOc1ccc(COCC(O)CNC(=O)C2CCCCC2)cc1
InChIInChI=1S/C18H27NO4/c1-22-17-9-7-14(8-10-17)12-23-13-16(20)11-19-18(21)15-5-3-2-4-6-15/h7-10,15-16,20H,2-6,11-13H2,1H3,(H,19,21)
InChIKeyZOEIXHYONJVPCH-UHFFFAOYSA-N
XLogP2.27
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 ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(1R)-N-[(2S)-2-hydroxy-3-[(4-methoxyphenyl)methoxy]propyl]cyclohex-3-ene-1-carboxamide
CID 94822861
N-[(2R)-2-hydroxy-3-[(4-methoxyphenyl)methoxy]propyl]-2-(4-methylphenyl)acetamide
CID 94814604
N-[(2R)-2-hydroxy-3-[(4-methoxyphenyl)methoxy]propyl]-5-methylpyrazine-2-carboxamide
CID 94815352
4-ethyl-N-[(2S)-2-hydroxy-3-[(4-methoxyphenyl)methoxy]propyl]benzamide
CID 95344832
1-[(2R)-2-hydroxy-3-[(4-methoxyphenyl)methoxy]propyl]-3-(2-methoxyethyl)urea
CID 95158318
N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]cyclohexanecarboxamide
CID 17447079
N'-[2-(4-methoxyphenyl)acetyl]cyclohexanecarbohydrazide
CID 965816
N-[2-hydroxy-3-[(4-methoxyphenyl)methoxy]propyl]-2,5-dimethoxybenzamide
CID 51126519
N-[3-(3,4-difluorophenoxy)-2-hydroxypropyl]cyclohexanecarboxamide
CID 111102881
N-[2-hydroxy-3-[(4-methoxyphenyl)methoxy]propyl]pyridine-3-carboxamide
CID 51094308
N-[(2R)-2-hydroxy-3-[(4-methoxyphenyl)methoxy]propyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 94813443
N-[(2R)-2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]cyclopentanecarboxamide
CID 94678482

Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-3-[(4-methoxyphenyl)methoxy]propyl]cyclohexanecarboxamide?
The IUPAC name of N-[2-hydroxy-3-[(4-methoxyphenyl)methoxy]propyl]cyclohexanecarboxamide (CID 51094307) is N-[2-hydroxy-3-[(4-methoxyphenyl)methoxy]propyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[2-hydroxy-3-[(4-methoxyphenyl)methoxy]propyl]cyclohexanecarboxamide?
The canonical SMILES for N-[2-hydroxy-3-[(4-methoxyphenyl)methoxy]propyl]cyclohexanecarboxamide is COc1ccc(COCC(O)CNC(=O)C2CCCCC2)cc1.
What is the InChIKey of N-[2-hydroxy-3-[(4-methoxyphenyl)methoxy]propyl]cyclohexanecarboxamide?
The InChIKey is ZOEIXHYONJVPCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO4/c1-22-17-9-7-14(8-10-17)12-23-13-16(20)11-19-18(21)15-5-3-2-4-6-15/h7-10,15-16,20H,2-6,11-13H2,1H3,(H,19,21).
What are the key properties of N-[2-hydroxy-3-[(4-methoxyphenyl)methoxy]propyl]cyclohexanecarboxamide?
N-[2-hydroxy-3-[(4-methoxyphenyl)methoxy]propyl]cyclohexanecarboxamide has a molecular weight of 321.42 g/mol, XLogP of 2.27, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-hydroxy-3-[(4-methoxyphenyl)methoxy]propyl]cyclohexanecarboxamide is sourced from PubChem (CID 51094307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).