N-cycloheptyl-2-[2-(oxan-4-ylamino)phenoxy]acetamide

C20H30N2O3 — CID 136556780

IUPACN-cycloheptyl-2-[2-(oxan-4-ylamino)phenoxy]acetamide
SMILESO=C(COc1ccccc1NC1CCOCC1)NC1CCCCCC1
InChIInChI=1S/C20H30N2O3/c23-20(22-16-7-3-1-2-4-8-16)15-25-19-10-6-5-9-18(19)21-17-11-13-24-14-12-17/h5-6,9-10,16-17,21H,1-4,7-8,11-15H2,(H,22,23)
InChIKeyGWDQOWVGFGUQLV-UHFFFAOYSA-N
MW346.47 g/mol
LogP3.50
Rot. Bonds6

About N-cycloheptyl-2-[2-(oxan-4-ylamino)phenoxy]acetamide

N-cycloheptyl-2-[2-(oxan-4-ylamino)phenoxy]acetamide (PubChem CID 136556780) has the molecular formula C20H30N2O3 and a molecular weight of 346.47 g/mol. Its IUPAC name is N-cycloheptyl-2-[2-(oxan-4-ylamino)phenoxy]acetamide.

Molecular Properties

Compound NameN-cycloheptyl-2-[2-(oxan-4-ylamino)phenoxy]acetamide
PubChem CID136556780
Molecular FormulaC20H30N2O3
Molecular Weight346.47 g/mol
Exact Mass346.23
IUPAC NameN-cycloheptyl-2-[2-(oxan-4-ylamino)phenoxy]acetamide
SMILESO=C(COc1ccccc1NC1CCOCC1)NC1CCCCCC1
InChIInChI=1S/C20H30N2O3/c23-20(22-16-7-3-1-2-4-8-16)15-25-19-10-6-5-9-18(19)21-17-11-13-24-14-12-17/h5-6,9-10,16-17,21H,1-4,7-8,11-15H2,(H,22,23)
InChIKeyGWDQOWVGFGUQLV-UHFFFAOYSA-N
XLogP3.50
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.47
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-acetamidophenoxy)-N-cyclooctylacetamide
CID 17457791
N-(oxan-4-yl)-2-phenoxyacetamide
CID 61062946
N-cyclohexyl-2-(2-ethoxyphenoxy)acetamide
CID 731871
2-(2-amino-3-hydroxyphenoxy)-N-(oxan-4-yl)acetamide
CID 114764389
N-cycloheptyl-2-[2-(methylaminomethyl)phenoxy]acetamide
CID 62548783
N-cyclohexyl-2-(2-propan-2-ylphenoxy)acetamide
CID 725880
2-[(1-hydroxy-2,3-dihydro-1H-inden-4-yl)oxy]-N-(oxan-4-yl)acetamide
CID 63091211
N-cyclopropyl-2-(2-hydroxyphenoxy)acetamide
CID 2687934
N-cycloheptyl-2-[2-[(1S)-1-hydroxyethyl]phenoxy]acetamide
CID 78933846
2-[2-(1-aminoethyl)phenoxy]-N-cyclohexylacetamide
CID 43186044
N-cyclohexyl-2-(2-prop-2-enylphenoxy)acetamide
CID 1406994
2-(4-hydroxyphenoxy)-N-(oxan-4-yl)acetamide
CID 55182267

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-2-[2-(oxan-4-ylamino)phenoxy]acetamide?
The IUPAC name of N-cycloheptyl-2-[2-(oxan-4-ylamino)phenoxy]acetamide (CID 136556780) is N-cycloheptyl-2-[2-(oxan-4-ylamino)phenoxy]acetamide.
What is the SMILES notation for N-cycloheptyl-2-[2-(oxan-4-ylamino)phenoxy]acetamide?
The canonical SMILES for N-cycloheptyl-2-[2-(oxan-4-ylamino)phenoxy]acetamide is O=C(COc1ccccc1NC1CCOCC1)NC1CCCCCC1.
What is the InChIKey of N-cycloheptyl-2-[2-(oxan-4-ylamino)phenoxy]acetamide?
The InChIKey is GWDQOWVGFGUQLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O3/c23-20(22-16-7-3-1-2-4-8-16)15-25-19-10-6-5-9-18(19)21-17-11-13-24-14-12-17/h5-6,9-10,16-17,21H,1-4,7-8,11-15H2,(H,22,23).
What are the key properties of N-cycloheptyl-2-[2-(oxan-4-ylamino)phenoxy]acetamide?
N-cycloheptyl-2-[2-(oxan-4-ylamino)phenoxy]acetamide has a molecular weight of 346.47 g/mol, XLogP of 3.50, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-2-[2-(oxan-4-ylamino)phenoxy]acetamide is sourced from PubChem (CID 136556780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).