3-[[2-(2-tert-butylphenoxy)acetyl]amino]-N-propylpropanamide

C18H28N2O3 — CID 60551513

IUPAC3-[[2-(2-tert-butylphenoxy)acetyl]amino]-N-propylpropanamide
SMILESCCCNC(=O)CCNC(=O)COc1ccccc1C(C)(C)C
InChIInChI=1S/C18H28N2O3/c1-5-11-19-16(21)10-12-20-17(22)13-23-15-9-7-6-8-14(15)18(2,3)4/h6-9H,5,10-13H2,1-4H3,(H,19,21)(H,20,22)
InChIKeyHVSTVPASYVZIKS-UHFFFAOYSA-N
MW320.43 g/mol
LogP2.40
Rot. Bonds8

About 3-[[2-(2-tert-butylphenoxy)acetyl]amino]-N-propylpropanamide

3-[[2-(2-tert-butylphenoxy)acetyl]amino]-N-propylpropanamide (PubChem CID 60551513) has the molecular formula C18H28N2O3 and a molecular weight of 320.43 g/mol. Its IUPAC name is 3-[[2-(2-tert-butylphenoxy)acetyl]amino]-N-propylpropanamide.

Molecular Properties

Compound Name3-[[2-(2-tert-butylphenoxy)acetyl]amino]-N-propylpropanamide
PubChem CID60551513
Molecular FormulaC18H28N2O3
Molecular Weight320.43 g/mol
Exact Mass320.21
IUPAC Name3-[[2-(2-tert-butylphenoxy)acetyl]amino]-N-propylpropanamide
SMILESCCCNC(=O)CCNC(=O)COc1ccccc1C(C)(C)C
InChIInChI=1S/C18H28N2O3/c1-5-11-19-16(21)10-12-20-17(22)13-23-15-9-7-6-8-14(15)18(2,3)4/h6-9H,5,10-13H2,1-4H3,(H,19,21)(H,20,22)
InChIKeyHVSTVPASYVZIKS-UHFFFAOYSA-N
XLogP2.40
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.43
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-butyl-2-(2-tert-butylphenoxy)acetamide
CID 7676560
6-[[2-(2-tert-butylphenoxy)acetyl]amino]hexanoic acid
CID 53263967
2-[[2-(2-tert-butylphenoxy)acetyl]amino]acetate
CID 9170941
N-[2-[[2-(2-ethoxyphenoxy)acetyl]amino]ethyl]butanamide
CID 108572434
2-(2-tert-butylphenoxy)-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 7658830
N'-[2-(2-tert-butylphenoxy)acetyl]-3-ethoxypropanehydrazide
CID 17050964
3-amino-N-[2-(2-tert-butylphenoxy)ethyl]propanamide;hydrochloride
CID 119321799
2-(2-tert-butylphenoxy)-N-[2-(4-methylphenyl)sulfanylethyl]acetamide
CID 9173698
2-(2-tert-butylphenoxy)-N-[(4-methylphenyl)methyl]acetamide
CID 54776459
2-(2-tert-butylphenoxy)-N-[(2-fluorophenyl)methyl]acetamide
CID 24536882
(2R)-2-[benzyl-[2-(2-tert-butylphenoxy)acetyl]amino]-N-propylbutanamide
CID 100542885
2-(2-phenylphenoxy)-N-propylacetamide
CID 112788813

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(2-tert-butylphenoxy)acetyl]amino]-N-propylpropanamide?
The IUPAC name of 3-[[2-(2-tert-butylphenoxy)acetyl]amino]-N-propylpropanamide (CID 60551513) is 3-[[2-(2-tert-butylphenoxy)acetyl]amino]-N-propylpropanamide.
What is the SMILES notation for 3-[[2-(2-tert-butylphenoxy)acetyl]amino]-N-propylpropanamide?
The canonical SMILES for 3-[[2-(2-tert-butylphenoxy)acetyl]amino]-N-propylpropanamide is CCCNC(=O)CCNC(=O)COc1ccccc1C(C)(C)C.
What is the InChIKey of 3-[[2-(2-tert-butylphenoxy)acetyl]amino]-N-propylpropanamide?
The InChIKey is HVSTVPASYVZIKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O3/c1-5-11-19-16(21)10-12-20-17(22)13-23-15-9-7-6-8-14(15)18(2,3)4/h6-9H,5,10-13H2,1-4H3,(H,19,21)(H,20,22).
What are the key properties of 3-[[2-(2-tert-butylphenoxy)acetyl]amino]-N-propylpropanamide?
3-[[2-(2-tert-butylphenoxy)acetyl]amino]-N-propylpropanamide has a molecular weight of 320.43 g/mol, XLogP of 2.40, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(2-tert-butylphenoxy)acetyl]amino]-N-propylpropanamide is sourced from PubChem (CID 60551513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).