2-(2-amino-4-methoxyphenoxy)-N-tert-butylpropanamide

C14H22N2O3 — CID 43116016

IUPAC2-(2-amino-4-methoxyphenoxy)-N-tert-butylpropanamide
SMILESCOc1ccc(OC(C)C(=O)NC(C)(C)C)c(N)c1
InChIInChI=1S/C14H22N2O3/c1-9(13(17)16-14(2,3)4)19-12-7-6-10(18-5)8-11(12)15/h6-9H,15H2,1-5H3,(H,16,17)
InChIKeyPNMZBJGPMAKTHS-UHFFFAOYSA-N
MW266.34 g/mol
LogP1.96
Rot. Bonds4

About 2-(2-amino-4-methoxyphenoxy)-N-tert-butylpropanamide

2-(2-amino-4-methoxyphenoxy)-N-tert-butylpropanamide (PubChem CID 43116016) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is 2-(2-amino-4-methoxyphenoxy)-N-tert-butylpropanamide.

Molecular Properties

Compound Name2-(2-amino-4-methoxyphenoxy)-N-tert-butylpropanamide
PubChem CID43116016
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Name2-(2-amino-4-methoxyphenoxy)-N-tert-butylpropanamide
SMILESCOc1ccc(OC(C)C(=O)NC(C)(C)C)c(N)c1
InChIInChI=1S/C14H22N2O3/c1-9(13(17)16-14(2,3)4)19-12-7-6-10(18-5)8-11(12)15/h6-9H,15H2,1-5H3,(H,16,17)
InChIKeyPNMZBJGPMAKTHS-UHFFFAOYSA-N
XLogP1.96
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(2-amino-5-methoxyphenoxy)-N-tert-butylpropanamide
CID 102702269
(2S)-N-tert-butyl-2-(4-methoxyphenoxy)propanamide
CID 925163
2-(2-amino-5-methoxyphenoxy)-N-propan-2-ylpropanamide
CID 102702350
2-[4-[(1S)-1-aminoethyl]phenoxy]-N-tert-butylpropanamide
CID 78933085
4-[(2R)-1-(tert-butylamino)-1-oxopropan-2-yl]oxybenzamide
CID 8946463
N-tert-butyl-2-(4-chloro-2-fluorophenoxy)propanamide
CID 113219152
2-(3-amino-4-methoxyphenoxy)-N-(2-methoxyethyl)propanamide
CID 103201194
N-(2-cyano-3-methylbutan-2-yl)-2-(2,4-diaminophenoxy)propanamide
CID 141161861
5-bromo-2-[1-(tert-butylamino)-1-oxopropan-2-yl]oxybenzoic acid
CID 43088976
[1-(tert-butylamino)-1-oxopropan-2-yl] 4-amino-3-methoxybenzoate
CID 104784164
2-[4-(2-aminoethyl)-2-fluorophenoxy]-N-tert-butylpropanamide
CID 107692686
N-tert-butyl-2-(4-formylphenoxy)propanamide
CID 43086480

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-4-methoxyphenoxy)-N-tert-butylpropanamide?
The IUPAC name of 2-(2-amino-4-methoxyphenoxy)-N-tert-butylpropanamide (CID 43116016) is 2-(2-amino-4-methoxyphenoxy)-N-tert-butylpropanamide.
What is the SMILES notation for 2-(2-amino-4-methoxyphenoxy)-N-tert-butylpropanamide?
The canonical SMILES for 2-(2-amino-4-methoxyphenoxy)-N-tert-butylpropanamide is COc1ccc(OC(C)C(=O)NC(C)(C)C)c(N)c1.
What is the InChIKey of 2-(2-amino-4-methoxyphenoxy)-N-tert-butylpropanamide?
The InChIKey is PNMZBJGPMAKTHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-9(13(17)16-14(2,3)4)19-12-7-6-10(18-5)8-11(12)15/h6-9H,15H2,1-5H3,(H,16,17).
What are the key properties of 2-(2-amino-4-methoxyphenoxy)-N-tert-butylpropanamide?
2-(2-amino-4-methoxyphenoxy)-N-tert-butylpropanamide has a molecular weight of 266.34 g/mol, XLogP of 1.96, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-4-methoxyphenoxy)-N-tert-butylpropanamide is sourced from PubChem (CID 43116016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).