2-[4-(cyanomethoxy)phenyl]-N-[(1-hydroxycyclohexyl)methyl]acetamide

C17H22N2O3 — CID 111485845

IUPAC2-[4-(cyanomethoxy)phenyl]-N-[(1-hydroxycyclohexyl)methyl]acetamide
SMILESN#CCOc1ccc(CC(=O)NCC2(O)CCCCC2)cc1
InChIInChI=1S/C17H22N2O3/c18-10-11-22-15-6-4-14(5-7-15)12-16(20)19-13-17(21)8-2-1-3-9-17/h4-7,21H,1-3,8-9,11-13H2,(H,19,20)
InChIKeyGLJCDAMLEQTXIK-UHFFFAOYSA-N
MW302.37 g/mol
LogP1.94
Rot. Bonds6

About 2-[4-(cyanomethoxy)phenyl]-N-[(1-hydroxycyclohexyl)methyl]acetamide

2-[4-(cyanomethoxy)phenyl]-N-[(1-hydroxycyclohexyl)methyl]acetamide (PubChem CID 111485845) has the molecular formula C17H22N2O3 and a molecular weight of 302.37 g/mol. Its IUPAC name is 2-[4-(cyanomethoxy)phenyl]-N-[(1-hydroxycyclohexyl)methyl]acetamide.

Molecular Properties

Compound Name2-[4-(cyanomethoxy)phenyl]-N-[(1-hydroxycyclohexyl)methyl]acetamide
PubChem CID111485845
Molecular FormulaC17H22N2O3
Molecular Weight302.37 g/mol
Exact Mass302.16
IUPAC Name2-[4-(cyanomethoxy)phenyl]-N-[(1-hydroxycyclohexyl)methyl]acetamide
SMILESN#CCOc1ccc(CC(=O)NCC2(O)CCCCC2)cc1
InChIInChI=1S/C17H22N2O3/c18-10-11-22-15-6-4-14(5-7-15)12-16(20)19-13-17(21)8-2-1-3-9-17/h4-7,21H,1-3,8-9,11-13H2,(H,19,20)
InChIKeyGLJCDAMLEQTXIK-UHFFFAOYSA-N
XLogP1.94
TPSA82.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-hydroxycycloheptyl)methyl]-2-(4-hydroxyphenyl)acetamide
CID 65122861
N-[(1-hydroxycyclopentyl)methyl]-2-[4-(trifluoromethoxy)phenyl]acetamide
CID 111331191
N-[(1-hydroxycyclobutyl)methyl]-2-(4-hydroxyphenyl)acetamide
CID 115696780
N-[(1-hydroxycycloheptyl)methyl]-3-(4-methoxyphenyl)propanamide
CID 111428672
4-[(1-hydroxycyclohexyl)methoxy]benzonitrile
CID 65213795
4-ethoxy-N-[(1-hydroxycyclohexyl)methyl]benzamide
CID 64866990
3-(4-cyanophenyl)-N-[(1-hydroxycyclopentyl)methyl]propanamide
CID 111333105
N-[(1-hydroxycyclohexyl)methyl]-2-(3-methoxy-4-methylphenyl)acetamide
CID 65113958
N-[(1-hydroxycyclohexyl)methyl]-2-(3-methoxyphenyl)acetamide
CID 64866121
4-[(1-hydroxycyclopentyl)methoxy]benzamide
CID 65212408
2-(1-aminocyclopentyl)-N-[4-(cyanomethoxy)phenyl]acetamide
CID 64677584
2-[4-(cyanomethoxy)phenyl]-N-(3-hydroxy-3-phenylpropyl)acetamide
CID 111471793

Frequently Asked Questions

What is the IUPAC name of 2-[4-(cyanomethoxy)phenyl]-N-[(1-hydroxycyclohexyl)methyl]acetamide?
The IUPAC name of 2-[4-(cyanomethoxy)phenyl]-N-[(1-hydroxycyclohexyl)methyl]acetamide (CID 111485845) is 2-[4-(cyanomethoxy)phenyl]-N-[(1-hydroxycyclohexyl)methyl]acetamide.
What is the SMILES notation for 2-[4-(cyanomethoxy)phenyl]-N-[(1-hydroxycyclohexyl)methyl]acetamide?
The canonical SMILES for 2-[4-(cyanomethoxy)phenyl]-N-[(1-hydroxycyclohexyl)methyl]acetamide is N#CCOc1ccc(CC(=O)NCC2(O)CCCCC2)cc1.
What is the InChIKey of 2-[4-(cyanomethoxy)phenyl]-N-[(1-hydroxycyclohexyl)methyl]acetamide?
The InChIKey is GLJCDAMLEQTXIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O3/c18-10-11-22-15-6-4-14(5-7-15)12-16(20)19-13-17(21)8-2-1-3-9-17/h4-7,21H,1-3,8-9,11-13H2,(H,19,20).
What are the key properties of 2-[4-(cyanomethoxy)phenyl]-N-[(1-hydroxycyclohexyl)methyl]acetamide?
2-[4-(cyanomethoxy)phenyl]-N-[(1-hydroxycyclohexyl)methyl]acetamide has a molecular weight of 302.37 g/mol, XLogP of 1.94, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(cyanomethoxy)phenyl]-N-[(1-hydroxycyclohexyl)methyl]acetamide is sourced from PubChem (CID 111485845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).