3-[2-[(2,6-dimethylcyclohexyl)amino]phenoxy]propanamide

C17H26N2O2 — CID 43729752

IUPAC3-[2-[(2,6-dimethylcyclohexyl)amino]phenoxy]propanamide
SMILESCC1CCCC(C)C1Nc1ccccc1OCCC(N)=O
InChIInChI=1S/C17H26N2O2/c1-12-6-5-7-13(2)17(12)19-14-8-3-4-9-15(14)21-11-10-16(18)20/h3-4,8-9,12-13,17,19H,5-7,10-11H2,1-2H3,(H2,18,20)
InChIKeyXLMWKFYVHFAXID-UHFFFAOYSA-N
MW290.41 g/mol
LogP3.18
Rot. Bonds6

About 3-[2-[(2,6-dimethylcyclohexyl)amino]phenoxy]propanamide

3-[2-[(2,6-dimethylcyclohexyl)amino]phenoxy]propanamide (PubChem CID 43729752) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 3-[2-[(2,6-dimethylcyclohexyl)amino]phenoxy]propanamide.

Molecular Properties

Compound Name3-[2-[(2,6-dimethylcyclohexyl)amino]phenoxy]propanamide
PubChem CID43729752
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name3-[2-[(2,6-dimethylcyclohexyl)amino]phenoxy]propanamide
SMILESCC1CCCC(C)C1Nc1ccccc1OCCC(N)=O
InChIInChI=1S/C17H26N2O2/c1-12-6-5-7-13(2)17(12)19-14-8-3-4-9-15(14)21-11-10-16(18)20/h3-4,8-9,12-13,17,19H,5-7,10-11H2,1-2H3,(H2,18,20)
InChIKeyXLMWKFYVHFAXID-UHFFFAOYSA-N
XLogP3.18
TPSA64.35 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 ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[(2,6-dimethylcyclohexyl)amino]phenoxy]propanamide?
The IUPAC name of 3-[2-[(2,6-dimethylcyclohexyl)amino]phenoxy]propanamide (CID 43729752) is 3-[2-[(2,6-dimethylcyclohexyl)amino]phenoxy]propanamide.
What is the SMILES notation for 3-[2-[(2,6-dimethylcyclohexyl)amino]phenoxy]propanamide?
The canonical SMILES for 3-[2-[(2,6-dimethylcyclohexyl)amino]phenoxy]propanamide is CC1CCCC(C)C1Nc1ccccc1OCCC(N)=O.
What is the InChIKey of 3-[2-[(2,6-dimethylcyclohexyl)amino]phenoxy]propanamide?
The InChIKey is XLMWKFYVHFAXID-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-12-6-5-7-13(2)17(12)19-14-8-3-4-9-15(14)21-11-10-16(18)20/h3-4,8-9,12-13,17,19H,5-7,10-11H2,1-2H3,(H2,18,20).
What are the key properties of 3-[2-[(2,6-dimethylcyclohexyl)amino]phenoxy]propanamide?
3-[2-[(2,6-dimethylcyclohexyl)amino]phenoxy]propanamide has a molecular weight of 290.41 g/mol, XLogP of 3.18, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(2,6-dimethylcyclohexyl)amino]phenoxy]propanamide is sourced from PubChem (CID 43729752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).