N-[1-(dimethylamino)cyclohexyl]-2-[3-(1-methylpyrazol-4-yl)phenoxy]acetamide

C20H28N4O2 — CID 173096226

IUPACN-[1-(dimethylamino)cyclohexyl]-2-[3-(1-methylpyrazol-4-yl)phenoxy]acetamide
SMILESCN(C)C1(NC(=O)COc2cccc(-c3cnn(C)c3)c2)CCCCC1
InChIInChI=1S/C20H28N4O2/c1-23(2)20(10-5-4-6-11-20)22-19(25)15-26-18-9-7-8-16(12-18)17-13-21-24(3)14-17/h7-9,12-14H,4-6,10-11,15H2,1-3H3,(H,22,25)
InChIKeyAGWOVTPGGAHIFQ-UHFFFAOYSA-N
MW356.47 g/mol
LogP2.80
Rot. Bonds6

About N-[1-(dimethylamino)cyclohexyl]-2-[3-(1-methylpyrazol-4-yl)phenoxy]acetamide

N-[1-(dimethylamino)cyclohexyl]-2-[3-(1-methylpyrazol-4-yl)phenoxy]acetamide (PubChem CID 173096226) has the molecular formula C20H28N4O2 and a molecular weight of 356.47 g/mol. Its IUPAC name is N-[1-(dimethylamino)cyclohexyl]-2-[3-(1-methylpyrazol-4-yl)phenoxy]acetamide.

Molecular Properties

Compound NameN-[1-(dimethylamino)cyclohexyl]-2-[3-(1-methylpyrazol-4-yl)phenoxy]acetamide
PubChem CID173096226
Molecular FormulaC20H28N4O2
Molecular Weight356.47 g/mol
Exact Mass356.22
IUPAC NameN-[1-(dimethylamino)cyclohexyl]-2-[3-(1-methylpyrazol-4-yl)phenoxy]acetamide
SMILESCN(C)C1(NC(=O)COc2cccc(-c3cnn(C)c3)c2)CCCCC1
InChIInChI=1S/C20H28N4O2/c1-23(2)20(10-5-4-6-11-20)22-19(25)15-26-18-9-7-8-16(12-18)17-13-21-24(3)14-17/h7-9,12-14H,4-6,10-11,15H2,1-3H3,(H,22,25)
InChIKeyAGWOVTPGGAHIFQ-UHFFFAOYSA-N
XLogP2.80
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[1-(dimethylamino)cyclohexyl]-2-[3-(1-methylpyrazol-4-yl)phenoxy]acetamide?
The IUPAC name of N-[1-(dimethylamino)cyclohexyl]-2-[3-(1-methylpyrazol-4-yl)phenoxy]acetamide (CID 173096226) is N-[1-(dimethylamino)cyclohexyl]-2-[3-(1-methylpyrazol-4-yl)phenoxy]acetamide.
What is the SMILES notation for N-[1-(dimethylamino)cyclohexyl]-2-[3-(1-methylpyrazol-4-yl)phenoxy]acetamide?
The canonical SMILES for N-[1-(dimethylamino)cyclohexyl]-2-[3-(1-methylpyrazol-4-yl)phenoxy]acetamide is CN(C)C1(NC(=O)COc2cccc(-c3cnn(C)c3)c2)CCCCC1.
What is the InChIKey of N-[1-(dimethylamino)cyclohexyl]-2-[3-(1-methylpyrazol-4-yl)phenoxy]acetamide?
The InChIKey is AGWOVTPGGAHIFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O2/c1-23(2)20(10-5-4-6-11-20)22-19(25)15-26-18-9-7-8-16(12-18)17-13-21-24(3)14-17/h7-9,12-14H,4-6,10-11,15H2,1-3H3,(H,22,25).
What are the key properties of N-[1-(dimethylamino)cyclohexyl]-2-[3-(1-methylpyrazol-4-yl)phenoxy]acetamide?
N-[1-(dimethylamino)cyclohexyl]-2-[3-(1-methylpyrazol-4-yl)phenoxy]acetamide has a molecular weight of 356.47 g/mol, XLogP of 2.80, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(dimethylamino)cyclohexyl]-2-[3-(1-methylpyrazol-4-yl)phenoxy]acetamide is sourced from PubChem (CID 173096226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).