N-cycloheptyl-2-[2-(methylaminomethyl)phenoxy]acetamide

C17H26N2O2 — CID 62548783

IUPACN-cycloheptyl-2-[2-(methylaminomethyl)phenoxy]acetamide
SMILESCNCc1ccccc1OCC(=O)NC1CCCCCC1
InChIInChI=1S/C17H26N2O2/c1-18-12-14-8-6-7-11-16(14)21-13-17(20)19-15-9-4-2-3-5-10-15/h6-8,11,15,18H,2-5,9-10,12-13H2,1H3,(H,19,20)
InChIKeyVCENLDVSEWIYLU-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.62
Rot. Bonds6

About N-cycloheptyl-2-[2-(methylaminomethyl)phenoxy]acetamide

N-cycloheptyl-2-[2-(methylaminomethyl)phenoxy]acetamide (PubChem CID 62548783) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is N-cycloheptyl-2-[2-(methylaminomethyl)phenoxy]acetamide.

Molecular Properties

Compound NameN-cycloheptyl-2-[2-(methylaminomethyl)phenoxy]acetamide
PubChem CID62548783
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC NameN-cycloheptyl-2-[2-(methylaminomethyl)phenoxy]acetamide
SMILESCNCc1ccccc1OCC(=O)NC1CCCCCC1
InChIInChI=1S/C17H26N2O2/c1-18-12-14-8-6-7-11-16(14)21-13-17(20)19-15-9-4-2-3-5-10-15/h6-8,11,15,18H,2-5,9-10,12-13H2,1H3,(H,19,20)
InChIKeyVCENLDVSEWIYLU-UHFFFAOYSA-N
XLogP2.62
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-2-[2-(methylaminomethyl)phenoxy]acetamide
CID 43277196
2-[2-(methylaminomethyl)phenoxy]-N-(4-methylcyclohexyl)acetamide
CID 106484672
2-[2-(methylaminomethyl)phenoxy]-N-(2-methylcyclohexyl)acetamide
CID 106484685
N-cyclopropyl-2-[2-[(propan-2-ylamino)methyl]phenoxy]acetamide
CID 43277358
N-cyclohexyl-2-(2-ethoxyphenoxy)acetamide
CID 731871
N-cyclohexyl-2-[2-[(prop-2-enylamino)methyl]phenoxy]acetamide;hydrochloride
CID 2986947
N-cyclohexyl-2-(2-prop-2-enylphenoxy)acetamide
CID 1406994
N-methyl-2-[2-(methylaminomethyl)phenoxy]acetamide
CID 43277188
N-cyclohexyl-2-(2-propan-2-ylphenoxy)acetamide
CID 725880
2-(2-acetamidophenoxy)-N-cyclooctylacetamide
CID 17457791
2-[2-(1-aminoethyl)phenoxy]-N-cyclohexylacetamide
CID 43186044
N-cycloheptyl-2-[2-[(1S)-1-hydroxyethyl]phenoxy]acetamide
CID 78933846

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-2-[2-(methylaminomethyl)phenoxy]acetamide?
The IUPAC name of N-cycloheptyl-2-[2-(methylaminomethyl)phenoxy]acetamide (CID 62548783) is N-cycloheptyl-2-[2-(methylaminomethyl)phenoxy]acetamide.
What is the SMILES notation for N-cycloheptyl-2-[2-(methylaminomethyl)phenoxy]acetamide?
The canonical SMILES for N-cycloheptyl-2-[2-(methylaminomethyl)phenoxy]acetamide is CNCc1ccccc1OCC(=O)NC1CCCCCC1.
What is the InChIKey of N-cycloheptyl-2-[2-(methylaminomethyl)phenoxy]acetamide?
The InChIKey is VCENLDVSEWIYLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-18-12-14-8-6-7-11-16(14)21-13-17(20)19-15-9-4-2-3-5-10-15/h6-8,11,15,18H,2-5,9-10,12-13H2,1H3,(H,19,20).
What are the key properties of N-cycloheptyl-2-[2-(methylaminomethyl)phenoxy]acetamide?
N-cycloheptyl-2-[2-(methylaminomethyl)phenoxy]acetamide has a molecular weight of 290.41 g/mol, XLogP of 2.62, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-2-[2-(methylaminomethyl)phenoxy]acetamide is sourced from PubChem (CID 62548783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).