N-tert-butyl-2-[4-(methylaminomethyl)phenoxy]propanamide

C15H24N2O2 — CID 43276886

IUPACN-tert-butyl-2-[4-(methylaminomethyl)phenoxy]propanamide
SMILESCNCc1ccc(OC(C)C(=O)NC(C)(C)C)cc1
InChIInChI=1S/C15H24N2O2/c1-11(14(18)17-15(2,3)4)19-13-8-6-12(7-9-13)10-16-5/h6-9,11,16H,10H2,1-5H3,(H,17,18)
InChIKeyXFBDNFFSSCMKLC-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.09
Rot. Bonds5

About N-tert-butyl-2-[4-(methylaminomethyl)phenoxy]propanamide

N-tert-butyl-2-[4-(methylaminomethyl)phenoxy]propanamide (PubChem CID 43276886) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is N-tert-butyl-2-[4-(methylaminomethyl)phenoxy]propanamide.

Molecular Properties

Compound NameN-tert-butyl-2-[4-(methylaminomethyl)phenoxy]propanamide
PubChem CID43276886
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC NameN-tert-butyl-2-[4-(methylaminomethyl)phenoxy]propanamide
SMILESCNCc1ccc(OC(C)C(=O)NC(C)(C)C)cc1
InChIInChI=1S/C15H24N2O2/c1-11(14(18)17-15(2,3)4)19-13-8-6-12(7-9-13)10-16-5/h6-9,11,16H,10H2,1-5H3,(H,17,18)
InChIKeyXFBDNFFSSCMKLC-UHFFFAOYSA-N
XLogP2.09
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-tert-butyl-2-(4-methoxyphenoxy)propanamide
CID 925163
2-[4-[(1S)-1-aminoethyl]phenoxy]-N-tert-butylpropanamide
CID 78933085
N-tert-butyl-2-(4-formylphenoxy)propanamide
CID 43086480
4-[(2R)-1-(tert-butylamino)-1-oxopropan-2-yl]oxybenzamide
CID 8946463
(2S)-N-tert-butyl-2-[4-(4-chlorobenzoyl)phenoxy]propanamide
CID 8887369
2-[4-(methylaminomethyl)phenoxy]-1-pyrrolidin-1-ylpropan-1-one
CID 43276881
2-(4-methylphenoxy)-N-[(4-methylphenyl)methyl]propanamide
CID 4221032
2-[4-[(tert-butylamino)methyl]phenoxy]-N,N-dimethylpropanamide
CID 63062524
[(2R)-1-(tert-butylamino)-1-oxopropan-2-yl] (2R)-2-(4-cyanophenoxy)propanoate
CID 8855456
N-tert-butyl-2-[3-[(1R)-1-hydroxyethyl]phenoxy]propanamide
CID 78933960
N-tert-butyl-2-(4-ethylphenoxy)butanamide
CID 53288787
(2S)-N-tert-butyl-2-(3-chlorophenoxy)propanamide
CID 966263

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[4-(methylaminomethyl)phenoxy]propanamide?
The IUPAC name of N-tert-butyl-2-[4-(methylaminomethyl)phenoxy]propanamide (CID 43276886) is N-tert-butyl-2-[4-(methylaminomethyl)phenoxy]propanamide.
What is the SMILES notation for N-tert-butyl-2-[4-(methylaminomethyl)phenoxy]propanamide?
The canonical SMILES for N-tert-butyl-2-[4-(methylaminomethyl)phenoxy]propanamide is CNCc1ccc(OC(C)C(=O)NC(C)(C)C)cc1.
What is the InChIKey of N-tert-butyl-2-[4-(methylaminomethyl)phenoxy]propanamide?
The InChIKey is XFBDNFFSSCMKLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-11(14(18)17-15(2,3)4)19-13-8-6-12(7-9-13)10-16-5/h6-9,11,16H,10H2,1-5H3,(H,17,18).
What are the key properties of N-tert-butyl-2-[4-(methylaminomethyl)phenoxy]propanamide?
N-tert-butyl-2-[4-(methylaminomethyl)phenoxy]propanamide has a molecular weight of 264.37 g/mol, XLogP of 2.09, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[4-(methylaminomethyl)phenoxy]propanamide is sourced from PubChem (CID 43276886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).