2-amino-3-(4-butan-2-ylphenoxy)propanamide

C13H20N2O2 — CID 107663516

IUPAC2-amino-3-(4-butan-2-ylphenoxy)propanamide
SMILESCCC(C)c1ccc(OCC(N)C(N)=O)cc1
InChIInChI=1S/C13H20N2O2/c1-3-9(2)10-4-6-11(7-5-10)17-8-12(14)13(15)16/h4-7,9,12H,3,8,14H2,1-2H3,(H2,15,16)
InChIKeySLYQUVZWNFKQLI-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.39
Rot. Bonds6

About 2-amino-3-(4-butan-2-ylphenoxy)propanamide

2-amino-3-(4-butan-2-ylphenoxy)propanamide (PubChem CID 107663516) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 2-amino-3-(4-butan-2-ylphenoxy)propanamide.

Molecular Properties

Compound Name2-amino-3-(4-butan-2-ylphenoxy)propanamide
PubChem CID107663516
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name2-amino-3-(4-butan-2-ylphenoxy)propanamide
SMILESCCC(C)c1ccc(OCC(N)C(N)=O)cc1
InChIInChI=1S/C13H20N2O2/c1-3-9(2)10-4-6-11(7-5-10)17-8-12(14)13(15)16/h4-7,9,12H,3,8,14H2,1-2H3,(H2,15,16)
InChIKeySLYQUVZWNFKQLI-UHFFFAOYSA-N
XLogP1.39
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-butan-2-ylphenoxy)-2-methylpropanamide
CID 107669112
1-(4-butan-2-ylphenoxy)butan-2-amine
CID 107664163
2-amino-3-(4-butan-2-ylphenyl)propanamide
CID 116850831
2-amino-2-(4-butan-2-ylphenyl)acetamide
CID 116850739
1-(4-butan-2-ylphenoxy)propan-2-one
CID 59101826
3-(4-butan-2-ylphenoxy)-2-(ethylamino)-2-methylpropanamide
CID 107667956
[3-(4-butan-2-ylphenoxy)-2-hydroxypropyl] prop-2-enoate
CID 23517808
(4-butan-2-ylphenyl) 2-methylpropanoate
CID 155645541
2-acetamido-3-(4-butan-2-ylphenoxy)propanoic acid
CID 107663499
2-[(4-butan-2-ylphenoxy)methyl]butane-1-thiol
CID 107669472
3-[4-[(1R)-1-hydroxyethyl]phenoxy]-2-methylpropanamide
CID 63364284
N-(4-butan-2-ylphenyl)-4-(2-methylpropoxy)benzamide
CID 23966812

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(4-butan-2-ylphenoxy)propanamide?
The IUPAC name of 2-amino-3-(4-butan-2-ylphenoxy)propanamide (CID 107663516) is 2-amino-3-(4-butan-2-ylphenoxy)propanamide.
What is the SMILES notation for 2-amino-3-(4-butan-2-ylphenoxy)propanamide?
The canonical SMILES for 2-amino-3-(4-butan-2-ylphenoxy)propanamide is CCC(C)c1ccc(OCC(N)C(N)=O)cc1.
What is the InChIKey of 2-amino-3-(4-butan-2-ylphenoxy)propanamide?
The InChIKey is SLYQUVZWNFKQLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-3-9(2)10-4-6-11(7-5-10)17-8-12(14)13(15)16/h4-7,9,12H,3,8,14H2,1-2H3,(H2,15,16).
What are the key properties of 2-amino-3-(4-butan-2-ylphenoxy)propanamide?
2-amino-3-(4-butan-2-ylphenoxy)propanamide has a molecular weight of 236.31 g/mol, XLogP of 1.39, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(4-butan-2-ylphenoxy)propanamide is sourced from PubChem (CID 107663516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).