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

C13H20N2O — CID 116850831

IUPAC2-amino-3-(4-butan-2-ylphenyl)propanamide
SMILESCCC(C)c1ccc(CC(N)C(N)=O)cc1
InChIInChI=1S/C13H20N2O/c1-3-9(2)11-6-4-10(5-7-11)8-12(14)13(15)16/h4-7,9,12H,3,8,14H2,1-2H3,(H2,15,16)
InChIKeyRESAIGCPFCDANM-UHFFFAOYSA-N
MW220.32 g/mol
LogP1.56
Rot. Bonds5

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

2-amino-3-(4-butan-2-ylphenyl)propanamide (PubChem CID 116850831) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 2-amino-3-(4-butan-2-ylphenyl)propanamide.

Molecular Properties

Compound Name2-amino-3-(4-butan-2-ylphenyl)propanamide
PubChem CID116850831
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name2-amino-3-(4-butan-2-ylphenyl)propanamide
SMILESCCC(C)c1ccc(CC(N)C(N)=O)cc1
InChIInChI=1S/C13H20N2O/c1-3-9(2)11-6-4-10(5-7-11)8-12(14)13(15)16/h4-7,9,12H,3,8,14H2,1-2H3,(H2,15,16)
InChIKeyRESAIGCPFCDANM-UHFFFAOYSA-N
XLogP1.56
TPSA69.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-3-(4-propan-2-ylphenyl)propanamide
CID 64990650
2-amino-2-(4-butan-2-ylphenyl)acetamide
CID 116850739
2-amino-3-(4-methylphenyl)propanamide
CID 18981163
2-amino-3-(4-butan-2-ylphenoxy)propanamide
CID 107663516
2-[(4-butan-2-ylphenyl)methyl]butanoic acid
CID 116930604
(2R)-2-amino-3-(4-hydroxyphenyl)propanamide
CID 10511575
2-amino-4-(4-butan-2-ylphenyl)butanoic acid
CID 112511842
2-amino-3-(4-hydroxyphenyl)propanamide;hydrobromide
CID 174991066
[amino-[4-[(2R)-2,3-diamino-3-oxopropyl]phenyl]methylidene]azanium
CID 16740996
2-amino-1-(4-butan-2-ylphenyl)propan-1-one
CID 82048669
1-[4-(4-butan-2-ylphenoxy)phenyl]propan-2-amine
CID 107668862
2-[(4-butan-2-ylphenyl)methyl-methylamino]acetamide
CID 115259965

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(4-butan-2-ylphenyl)propanamide?
The IUPAC name of 2-amino-3-(4-butan-2-ylphenyl)propanamide (CID 116850831) is 2-amino-3-(4-butan-2-ylphenyl)propanamide.
What is the SMILES notation for 2-amino-3-(4-butan-2-ylphenyl)propanamide?
The canonical SMILES for 2-amino-3-(4-butan-2-ylphenyl)propanamide is CCC(C)c1ccc(CC(N)C(N)=O)cc1.
What is the InChIKey of 2-amino-3-(4-butan-2-ylphenyl)propanamide?
The InChIKey is RESAIGCPFCDANM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-3-9(2)11-6-4-10(5-7-11)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-ylphenyl)propanamide?
2-amino-3-(4-butan-2-ylphenyl)propanamide has a molecular weight of 220.32 g/mol, XLogP of 1.56, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(4-butan-2-ylphenyl)propanamide is sourced from PubChem (CID 116850831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).