N-[2-(tert-butylamino)-2-oxoethyl]-2-(3-cyanophenoxy)-N-methylpropanamide

C17H23N3O3 — CID 86921453

IUPACN-[2-(tert-butylamino)-2-oxoethyl]-2-(3-cyanophenoxy)-N-methylpropanamide
SMILESCC(Oc1cccc(C#N)c1)C(=O)N(C)CC(=O)NC(C)(C)C
InChIInChI=1S/C17H23N3O3/c1-12(23-14-8-6-7-13(9-14)10-18)16(22)20(5)11-15(21)19-17(2,3)4/h6-9,12H,11H2,1-5H3,(H,19,21)
InChIKeyJAHSVBXZDNTZKP-UHFFFAOYSA-N
MW317.39 g/mol
LogP1.70
Rot. Bonds5

About N-[2-(tert-butylamino)-2-oxoethyl]-2-(3-cyanophenoxy)-N-methylpropanamide

N-[2-(tert-butylamino)-2-oxoethyl]-2-(3-cyanophenoxy)-N-methylpropanamide (PubChem CID 86921453) has the molecular formula C17H23N3O3 and a molecular weight of 317.39 g/mol. Its IUPAC name is N-[2-(tert-butylamino)-2-oxoethyl]-2-(3-cyanophenoxy)-N-methylpropanamide.

Molecular Properties

Compound NameN-[2-(tert-butylamino)-2-oxoethyl]-2-(3-cyanophenoxy)-N-methylpropanamide
PubChem CID86921453
Molecular FormulaC17H23N3O3
Molecular Weight317.39 g/mol
Exact Mass317.17
IUPAC NameN-[2-(tert-butylamino)-2-oxoethyl]-2-(3-cyanophenoxy)-N-methylpropanamide
SMILESCC(Oc1cccc(C#N)c1)C(=O)N(C)CC(=O)NC(C)(C)C
InChIInChI=1S/C17H23N3O3/c1-12(23-14-8-6-7-13(9-14)10-18)16(22)20(5)11-15(21)19-17(2,3)4/h6-9,12H,11H2,1-5H3,(H,19,21)
InChIKeyJAHSVBXZDNTZKP-UHFFFAOYSA-N
XLogP1.70
TPSA82.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-[2-(tert-butylamino)-2-oxoethyl]-2-(4-chlorophenoxy)-N-methylpropanamide
CID 99643676
2-(4-cyanophenoxy)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methylpropanamide
CID 51144723
2-(4-cyanophenoxy)-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylpropanamide
CID 16546591
(2S)-2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-(3-cyanophenyl)propanamide
CID 8767213
2-(3-cyanophenoxy)-N-methylpropanamide
CID 43085589
2-(3-cyanophenoxy)-N-(2-hydroxy-2-phenylpropyl)propanamide
CID 111334999
2-[2-(4-cyanophenoxy)propanoyl-methylamino]acetic acid
CID 43092177
2-[2-(3-tert-butylphenoxy)propanoyl-methylamino]acetic acid
CID 119172411
2-(3-cyanophenoxy)-N-(2-hydroxy-2,5-dimethylhexyl)propanamide
CID 111485127
N-[(3-cyanophenyl)methyl]-N-methyl-2-(4-phenylphenoxy)propanamide
CID 55609402
N-[2-(tert-butylamino)-2-oxoethyl]-3-methoxy-N-methylbenzamide
CID 18118086
(2S)-2-(4-cyanophenoxy)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-methylpropanamide
CID 34737309

Frequently Asked Questions

What is the IUPAC name of N-[2-(tert-butylamino)-2-oxoethyl]-2-(3-cyanophenoxy)-N-methylpropanamide?
The IUPAC name of N-[2-(tert-butylamino)-2-oxoethyl]-2-(3-cyanophenoxy)-N-methylpropanamide (CID 86921453) is N-[2-(tert-butylamino)-2-oxoethyl]-2-(3-cyanophenoxy)-N-methylpropanamide.
What is the SMILES notation for N-[2-(tert-butylamino)-2-oxoethyl]-2-(3-cyanophenoxy)-N-methylpropanamide?
The canonical SMILES for N-[2-(tert-butylamino)-2-oxoethyl]-2-(3-cyanophenoxy)-N-methylpropanamide is CC(Oc1cccc(C#N)c1)C(=O)N(C)CC(=O)NC(C)(C)C.
What is the InChIKey of N-[2-(tert-butylamino)-2-oxoethyl]-2-(3-cyanophenoxy)-N-methylpropanamide?
The InChIKey is JAHSVBXZDNTZKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3/c1-12(23-14-8-6-7-13(9-14)10-18)16(22)20(5)11-15(21)19-17(2,3)4/h6-9,12H,11H2,1-5H3,(H,19,21).
What are the key properties of N-[2-(tert-butylamino)-2-oxoethyl]-2-(3-cyanophenoxy)-N-methylpropanamide?
N-[2-(tert-butylamino)-2-oxoethyl]-2-(3-cyanophenoxy)-N-methylpropanamide has a molecular weight of 317.39 g/mol, XLogP of 1.70, 5 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-(3-cyanophenoxy)-N-methylpropanamide is sourced from PubChem (CID 86921453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).