3-[2-[(tert-butylamino)methyl]-6-chlorophenoxy]-N-methylpropanamide

C15H23ClN2O2 — CID 115954742

IUPAC3-[2-[(tert-butylamino)methyl]-6-chlorophenoxy]-N-methylpropanamide
SMILESCNC(=O)CCOc1c(Cl)cccc1CNC(C)(C)C
InChIInChI=1S/C15H23ClN2O2/c1-15(2,3)18-10-11-6-5-7-12(16)14(11)20-9-8-13(19)17-4/h5-7,18H,8-10H2,1-4H3,(H,17,19)
InChIKeyHFYXGGRMRRVPOX-UHFFFAOYSA-N
MW298.81 g/mol
LogP2.74
Rot. Bonds6

About 3-[2-[(tert-butylamino)methyl]-6-chlorophenoxy]-N-methylpropanamide

3-[2-[(tert-butylamino)methyl]-6-chlorophenoxy]-N-methylpropanamide (PubChem CID 115954742) has the molecular formula C15H23ClN2O2 and a molecular weight of 298.81 g/mol. Its IUPAC name is 3-[2-[(tert-butylamino)methyl]-6-chlorophenoxy]-N-methylpropanamide.

Molecular Properties

Compound Name3-[2-[(tert-butylamino)methyl]-6-chlorophenoxy]-N-methylpropanamide
PubChem CID115954742
Molecular FormulaC15H23ClN2O2
Molecular Weight298.81 g/mol
Exact Mass298.14
IUPAC Name3-[2-[(tert-butylamino)methyl]-6-chlorophenoxy]-N-methylpropanamide
SMILESCNC(=O)CCOc1c(Cl)cccc1CNC(C)(C)C
InChIInChI=1S/C15H23ClN2O2/c1-15(2,3)18-10-11-6-5-7-12(16)14(11)20-9-8-13(19)17-4/h5-7,18H,8-10H2,1-4H3,(H,17,19)
InChIKeyHFYXGGRMRRVPOX-UHFFFAOYSA-N
XLogP2.74
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.81
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-[(tert-butylamino)methyl]-6-fluorophenoxy]-N-methylbutanamide
CID 115955151
N-[[3-chloro-2-(4-methoxybutoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 104647181
3-(2-chloro-6-formylphenoxy)-N-methylpropanamide
CID 112611514
N-[(3-chloro-2-methoxyphenyl)methyl]-2-methylpropan-2-amine
CID 112610454
1-[2-[(tert-butylamino)methyl]-6-chlorophenoxy]propan-2-ol
CID 112610429
N-[(3-chloro-2-pent-3-ynoxyphenyl)methyl]-2-methylpropan-2-amine
CID 104805501
3-[4-[(tert-butylamino)methyl]-2-chlorophenoxy]-N-methylpropanamide
CID 63058039
3-[2-(aminomethyl)-6-chlorophenoxy]-N-ethylpropanamide
CID 112607866
3-[2-[(tert-butylamino)methyl]-6-methoxyphenoxy]propanamide
CID 63056770
3-[2-chloro-6-[(2-methoxyethylamino)methyl]phenoxy]-N-ethylpropanamide
CID 115954979
4-(2-chloro-6-formylphenoxy)-N-methylbutanamide
CID 112611484
N-tert-butyl-2-[2-chloro-6-(ethylaminomethyl)phenoxy]acetamide
CID 115953044

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(tert-butylamino)methyl]-6-chlorophenoxy]-N-methylpropanamide?
The IUPAC name of 3-[2-[(tert-butylamino)methyl]-6-chlorophenoxy]-N-methylpropanamide (CID 115954742) is 3-[2-[(tert-butylamino)methyl]-6-chlorophenoxy]-N-methylpropanamide.
What is the SMILES notation for 3-[2-[(tert-butylamino)methyl]-6-chlorophenoxy]-N-methylpropanamide?
The canonical SMILES for 3-[2-[(tert-butylamino)methyl]-6-chlorophenoxy]-N-methylpropanamide is CNC(=O)CCOc1c(Cl)cccc1CNC(C)(C)C.
What is the InChIKey of 3-[2-[(tert-butylamino)methyl]-6-chlorophenoxy]-N-methylpropanamide?
The InChIKey is HFYXGGRMRRVPOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2O2/c1-15(2,3)18-10-11-6-5-7-12(16)14(11)20-9-8-13(19)17-4/h5-7,18H,8-10H2,1-4H3,(H,17,19).
What are the key properties of 3-[2-[(tert-butylamino)methyl]-6-chlorophenoxy]-N-methylpropanamide?
3-[2-[(tert-butylamino)methyl]-6-chlorophenoxy]-N-methylpropanamide has a molecular weight of 298.81 g/mol, XLogP of 2.74, 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]-6-chlorophenoxy]-N-methylpropanamide is sourced from PubChem (CID 115954742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).