3-[2-[(tert-butylamino)methyl]-6-methoxyphenoxy]propanamide

C15H24N2O3 — CID 63056770

IUPAC3-[2-[(tert-butylamino)methyl]-6-methoxyphenoxy]propanamide
SMILESCOc1cccc(CNC(C)(C)C)c1OCCC(N)=O
InChIInChI=1S/C15H24N2O3/c1-15(2,3)17-10-11-6-5-7-12(19-4)14(11)20-9-8-13(16)18/h5-7,17H,8-10H2,1-4H3,(H2,16,18)
InChIKeyZLCXEZCMWQTDPM-UHFFFAOYSA-N
MW280.37 g/mol
LogP1.84
Rot. Bonds7

About 3-[2-[(tert-butylamino)methyl]-6-methoxyphenoxy]propanamide

3-[2-[(tert-butylamino)methyl]-6-methoxyphenoxy]propanamide (PubChem CID 63056770) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is 3-[2-[(tert-butylamino)methyl]-6-methoxyphenoxy]propanamide.

Molecular Properties

Compound Name3-[2-[(tert-butylamino)methyl]-6-methoxyphenoxy]propanamide
PubChem CID63056770
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Name3-[2-[(tert-butylamino)methyl]-6-methoxyphenoxy]propanamide
SMILESCOc1cccc(CNC(C)(C)C)c1OCCC(N)=O
InChIInChI=1S/C15H24N2O3/c1-15(2,3)17-10-11-6-5-7-12(19-4)14(11)20-9-8-13(16)18/h5-7,17H,8-10H2,1-4H3,(H2,16,18)
InChIKeyZLCXEZCMWQTDPM-UHFFFAOYSA-N
XLogP1.84
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[2-[(tert-butylamino)methyl]-6-methoxyphenoxy]acetate
CID 63057770
N-[(3-methoxy-2-pentoxyphenyl)methyl]-2-methylpropan-2-amine
CID 54847865
N-[[3-methoxy-2-(3-methylbutoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 54847891
1-[2-[(tert-butylamino)methyl]-6-methoxyphenoxy]-3-methoxypropan-2-ol
CID 63929615
N-[(3-methoxy-2-prop-2-ynoxyphenyl)methyl]-2-methylpropan-2-amine
CID 63057600
3-[2-[(tert-butylamino)methyl]-3-chlorophenoxy]propanamide
CID 114319843
2-methyl-N-[[3-methyl-2-(3-methylbut-3-enoxy)phenyl]methyl]propan-2-amine
CID 114471737
N-[[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-2-methylpropan-2-amine
CID 4721447
N-[[2-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-2-methylpropan-2-amine
CID 4721448
N-[[2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]-2-methylpropan-2-amine
CID 4721442
3-[2-(aminomethyl)-6-methoxyphenoxy]-N-methylpropanamide
CID 55061826
N-[[2-(3-chloroprop-2-enoxy)-3-methoxyphenyl]methyl]-2-methylpropan-2-amine
CID 76983244

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(tert-butylamino)methyl]-6-methoxyphenoxy]propanamide?
The IUPAC name of 3-[2-[(tert-butylamino)methyl]-6-methoxyphenoxy]propanamide (CID 63056770) is 3-[2-[(tert-butylamino)methyl]-6-methoxyphenoxy]propanamide.
What is the SMILES notation for 3-[2-[(tert-butylamino)methyl]-6-methoxyphenoxy]propanamide?
The canonical SMILES for 3-[2-[(tert-butylamino)methyl]-6-methoxyphenoxy]propanamide is COc1cccc(CNC(C)(C)C)c1OCCC(N)=O.
What is the InChIKey of 3-[2-[(tert-butylamino)methyl]-6-methoxyphenoxy]propanamide?
The InChIKey is ZLCXEZCMWQTDPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-15(2,3)17-10-11-6-5-7-12(19-4)14(11)20-9-8-13(16)18/h5-7,17H,8-10H2,1-4H3,(H2,16,18).
What are the key properties of 3-[2-[(tert-butylamino)methyl]-6-methoxyphenoxy]propanamide?
3-[2-[(tert-butylamino)methyl]-6-methoxyphenoxy]propanamide has a molecular weight of 280.37 g/mol, XLogP of 1.84, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(tert-butylamino)methyl]-6-methoxyphenoxy]propanamide is sourced from PubChem (CID 63056770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).