N-[2-(tert-butylamino)-2-oxoethyl]-2-(4-methoxyphenoxy)-N-methylpropanamide

C17H26N2O4 — CID 51327712

IUPACN-[2-(tert-butylamino)-2-oxoethyl]-2-(4-methoxyphenoxy)-N-methylpropanamide
SMILESCOc1ccc(OC(C)C(=O)N(C)CC(=O)NC(C)(C)C)cc1
InChIInChI=1S/C17H26N2O4/c1-12(23-14-9-7-13(22-6)8-10-14)16(21)19(5)11-15(20)18-17(2,3)4/h7-10,12H,11H2,1-6H3,(H,18,20)
InChIKeyPGMXLBQNHKRTNP-UHFFFAOYSA-N
MW322.41 g/mol
LogP1.84
Rot. Bonds6

About N-[2-(tert-butylamino)-2-oxoethyl]-2-(4-methoxyphenoxy)-N-methylpropanamide

N-[2-(tert-butylamino)-2-oxoethyl]-2-(4-methoxyphenoxy)-N-methylpropanamide (PubChem CID 51327712) has the molecular formula C17H26N2O4 and a molecular weight of 322.41 g/mol. Its IUPAC name is N-[2-(tert-butylamino)-2-oxoethyl]-2-(4-methoxyphenoxy)-N-methylpropanamide.

Molecular Properties

Compound NameN-[2-(tert-butylamino)-2-oxoethyl]-2-(4-methoxyphenoxy)-N-methylpropanamide
PubChem CID51327712
Molecular FormulaC17H26N2O4
Molecular Weight322.41 g/mol
Exact Mass322.19
IUPAC NameN-[2-(tert-butylamino)-2-oxoethyl]-2-(4-methoxyphenoxy)-N-methylpropanamide
SMILESCOc1ccc(OC(C)C(=O)N(C)CC(=O)NC(C)(C)C)cc1
InChIInChI=1S/C17H26N2O4/c1-12(23-14-9-7-13(22-6)8-10-14)16(21)19(5)11-15(20)18-17(2,3)4/h7-10,12H,11H2,1-6H3,(H,18,20)
InChIKeyPGMXLBQNHKRTNP-UHFFFAOYSA-N
XLogP1.84
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(tert-butylamino)-2-oxoethyl]-2-(4-methoxyphenoxy)-N-methylpropanamide?
The IUPAC name of N-[2-(tert-butylamino)-2-oxoethyl]-2-(4-methoxyphenoxy)-N-methylpropanamide (CID 51327712) is N-[2-(tert-butylamino)-2-oxoethyl]-2-(4-methoxyphenoxy)-N-methylpropanamide.
What is the SMILES notation for N-[2-(tert-butylamino)-2-oxoethyl]-2-(4-methoxyphenoxy)-N-methylpropanamide?
The canonical SMILES for N-[2-(tert-butylamino)-2-oxoethyl]-2-(4-methoxyphenoxy)-N-methylpropanamide is COc1ccc(OC(C)C(=O)N(C)CC(=O)NC(C)(C)C)cc1.
What is the InChIKey of N-[2-(tert-butylamino)-2-oxoethyl]-2-(4-methoxyphenoxy)-N-methylpropanamide?
The InChIKey is PGMXLBQNHKRTNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O4/c1-12(23-14-9-7-13(22-6)8-10-14)16(21)19(5)11-15(20)18-17(2,3)4/h7-10,12H,11H2,1-6H3,(H,18,20).
What are the key properties of N-[2-(tert-butylamino)-2-oxoethyl]-2-(4-methoxyphenoxy)-N-methylpropanamide?
N-[2-(tert-butylamino)-2-oxoethyl]-2-(4-methoxyphenoxy)-N-methylpropanamide has a molecular weight of 322.41 g/mol, XLogP of 1.84, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(tert-butylamino)-2-oxoethyl]-2-(4-methoxyphenoxy)-N-methylpropanamide is sourced from PubChem (CID 51327712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).