2-[2-[(tert-butylamino)methyl]phenoxy]-N-propylpropanamide

C17H28N2O2 — CID 63062536

IUPAC2-[2-[(tert-butylamino)methyl]phenoxy]-N-propylpropanamide
SMILESCCCNC(=O)C(C)Oc1ccccc1CNC(C)(C)C
InChIInChI=1S/C17H28N2O2/c1-6-11-18-16(20)13(2)21-15-10-8-7-9-14(15)12-19-17(3,4)5/h7-10,13,19H,6,11-12H2,1-5H3,(H,18,20)
InChIKeyMYFRXGBPWSWUSA-UHFFFAOYSA-N
MW292.42 g/mol
LogP2.87
Rot. Bonds7

About 2-[2-[(tert-butylamino)methyl]phenoxy]-N-propylpropanamide

2-[2-[(tert-butylamino)methyl]phenoxy]-N-propylpropanamide (PubChem CID 63062536) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is 2-[2-[(tert-butylamino)methyl]phenoxy]-N-propylpropanamide.

Molecular Properties

Compound Name2-[2-[(tert-butylamino)methyl]phenoxy]-N-propylpropanamide
PubChem CID63062536
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Name2-[2-[(tert-butylamino)methyl]phenoxy]-N-propylpropanamide
SMILESCCCNC(=O)C(C)Oc1ccccc1CNC(C)(C)C
InChIInChI=1S/C17H28N2O2/c1-6-11-18-16(20)13(2)21-15-10-8-7-9-14(15)12-19-17(3,4)5/h7-10,13,19H,6,11-12H2,1-5H3,(H,18,20)
InChIKeyMYFRXGBPWSWUSA-UHFFFAOYSA-N
XLogP2.87
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-[2-[(tert-butylamino)methyl]phenoxy]propanoate
CID 63062046
2-[2-[1-oxo-1-(pentylamino)propan-2-yl]oxyphenyl]acetic acid
CID 80722346
2-(2-ethylphenoxy)-N-(2-methoxyethyl)propanamide
CID 53284936
2-[4-fluoro-2-(hydroxymethyl)phenoxy]-N-propylpropanamide
CID 107698502
2-(2-ethylphenoxy)-N-(2-phenoxyethyl)propanamide
CID 133239770
2-[2-(methylaminomethyl)phenoxy]-N-(2-methylpropyl)propanamide
CID 43277159
2-[2-[1-(tert-butylamino)-1-oxopropan-2-yl]oxyphenyl]acetic acid
CID 80741308
2-[2-[1-(ethylamino)propyl]phenoxy]-N-propylpropanamide
CID 43279107
(2R)-N-butyl-2-(2-methoxyphenoxy)propanamide
CID 40745436
(2S)-2-(2-ethylphenoxy)-N-methylpropanamide
CID 28577058
(2S)-2-(2-ethylphenoxy)-N-(3-phenylpropyl)propanamide
CID 92685651
2-[2-(ethylaminomethyl)phenoxy]-N-pentan-2-ylpropanamide
CID 43277213

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(tert-butylamino)methyl]phenoxy]-N-propylpropanamide?
The IUPAC name of 2-[2-[(tert-butylamino)methyl]phenoxy]-N-propylpropanamide (CID 63062536) is 2-[2-[(tert-butylamino)methyl]phenoxy]-N-propylpropanamide.
What is the SMILES notation for 2-[2-[(tert-butylamino)methyl]phenoxy]-N-propylpropanamide?
The canonical SMILES for 2-[2-[(tert-butylamino)methyl]phenoxy]-N-propylpropanamide is CCCNC(=O)C(C)Oc1ccccc1CNC(C)(C)C.
What is the InChIKey of 2-[2-[(tert-butylamino)methyl]phenoxy]-N-propylpropanamide?
The InChIKey is MYFRXGBPWSWUSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-6-11-18-16(20)13(2)21-15-10-8-7-9-14(15)12-19-17(3,4)5/h7-10,13,19H,6,11-12H2,1-5H3,(H,18,20).
What are the key properties of 2-[2-[(tert-butylamino)methyl]phenoxy]-N-propylpropanamide?
2-[2-[(tert-butylamino)methyl]phenoxy]-N-propylpropanamide has a molecular weight of 292.42 g/mol, XLogP of 2.87, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(tert-butylamino)methyl]phenoxy]-N-propylpropanamide is sourced from PubChem (CID 63062536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).