3-[2-[(tert-butylamino)methyl]-4,6-dichlorophenoxy]-2-methylpropanamide

C15H22Cl2N2O2 — CID 63057958

IUPAC3-[2-[(tert-butylamino)methyl]-4,6-dichlorophenoxy]-2-methylpropanamide
SMILESCC(COc1c(Cl)cc(Cl)cc1CNC(C)(C)C)C(N)=O
InChIInChI=1S/C15H22Cl2N2O2/c1-9(14(18)20)8-21-13-10(7-19-15(2,3)4)5-11(16)6-12(13)17/h5-6,9,19H,7-8H2,1-4H3,(H2,18,20)
InChIKeyVRMVYLHMKSQJLZ-UHFFFAOYSA-N
MW333.26 g/mol
LogP3.38
Rot. Bonds6

About 3-[2-[(tert-butylamino)methyl]-4,6-dichlorophenoxy]-2-methylpropanamide

3-[2-[(tert-butylamino)methyl]-4,6-dichlorophenoxy]-2-methylpropanamide (PubChem CID 63057958) has the molecular formula C15H22Cl2N2O2 and a molecular weight of 333.26 g/mol. Its IUPAC name is 3-[2-[(tert-butylamino)methyl]-4,6-dichlorophenoxy]-2-methylpropanamide.

Molecular Properties

Compound Name3-[2-[(tert-butylamino)methyl]-4,6-dichlorophenoxy]-2-methylpropanamide
PubChem CID63057958
Molecular FormulaC15H22Cl2N2O2
Molecular Weight333.26 g/mol
Exact Mass332.11
IUPAC Name3-[2-[(tert-butylamino)methyl]-4,6-dichlorophenoxy]-2-methylpropanamide
SMILESCC(COc1c(Cl)cc(Cl)cc1CNC(C)(C)C)C(N)=O
InChIInChI=1S/C15H22Cl2N2O2/c1-9(14(18)20)8-21-13-10(7-19-15(2,3)4)5-11(16)6-12(13)17/h5-6,9,19H,7-8H2,1-4H3,(H2,18,20)
InChIKeyVRMVYLHMKSQJLZ-UHFFFAOYSA-N
XLogP3.38
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.26
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[(tert-butylamino)methyl]-4,6-dichlorophenoxy]-2-methylpropanamide?
The IUPAC name of 3-[2-[(tert-butylamino)methyl]-4,6-dichlorophenoxy]-2-methylpropanamide (CID 63057958) is 3-[2-[(tert-butylamino)methyl]-4,6-dichlorophenoxy]-2-methylpropanamide.
What is the SMILES notation for 3-[2-[(tert-butylamino)methyl]-4,6-dichlorophenoxy]-2-methylpropanamide?
The canonical SMILES for 3-[2-[(tert-butylamino)methyl]-4,6-dichlorophenoxy]-2-methylpropanamide is CC(COc1c(Cl)cc(Cl)cc1CNC(C)(C)C)C(N)=O.
What is the InChIKey of 3-[2-[(tert-butylamino)methyl]-4,6-dichlorophenoxy]-2-methylpropanamide?
The InChIKey is VRMVYLHMKSQJLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22Cl2N2O2/c1-9(14(18)20)8-21-13-10(7-19-15(2,3)4)5-11(16)6-12(13)17/h5-6,9,19H,7-8H2,1-4H3,(H2,18,20).
What are the key properties of 3-[2-[(tert-butylamino)methyl]-4,6-dichlorophenoxy]-2-methylpropanamide?
3-[2-[(tert-butylamino)methyl]-4,6-dichlorophenoxy]-2-methylpropanamide has a molecular weight of 333.26 g/mol, XLogP of 3.38, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(tert-butylamino)methyl]-4,6-dichlorophenoxy]-2-methylpropanamide is sourced from PubChem (CID 63057958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).