4-amino-4-(2-ethoxy-5-methylphenyl)butanamide

C13H20N2O2 — CID 62301820

IUPAC4-amino-4-(2-ethoxy-5-methylphenyl)butanamide
SMILESCCOc1ccc(C)cc1C(N)CCC(N)=O
InChIInChI=1S/C13H20N2O2/c1-3-17-12-6-4-9(2)8-10(12)11(14)5-7-13(15)16/h4,6,8,11H,3,5,7,14H2,1-2H3,(H2,15,16)
InChIKeyZDZRJHKSLWHGJI-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.66
Rot. Bonds6

About 4-amino-4-(2-ethoxy-5-methylphenyl)butanamide

4-amino-4-(2-ethoxy-5-methylphenyl)butanamide (PubChem CID 62301820) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 4-amino-4-(2-ethoxy-5-methylphenyl)butanamide.

Molecular Properties

Compound Name4-amino-4-(2-ethoxy-5-methylphenyl)butanamide
PubChem CID62301820
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name4-amino-4-(2-ethoxy-5-methylphenyl)butanamide
SMILESCCOc1ccc(C)cc1C(N)CCC(N)=O
InChIInChI=1S/C13H20N2O2/c1-3-17-12-6-4-9(2)8-10(12)11(14)5-7-13(15)16/h4,6,8,11H,3,5,7,14H2,1-2H3,(H2,15,16)
InChIKeyZDZRJHKSLWHGJI-UHFFFAOYSA-N
XLogP1.66
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 ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-amino-2-(2-ethoxy-5-methylphenyl)ethoxy]acetamide
CID 62302330
5-amino-5-(2-methoxy-5-methylphenyl)pentanamide
CID 54927575
(2S)-2-amino-2-(2-ethoxy-5-methylphenyl)acetic acid
CID 7016959
1-(2-ethoxy-5-methylphenyl)octan-1-amine
CID 63505684
5-amino-5-(2-ethoxy-5-methylphenyl)-3-methylpentanoic acid
CID 62941477
methyl 2-[2-amino-2-(2-ethoxy-5-methylphenyl)ethoxy]acetate
CID 55057129
3-amino-3-(5-bromo-2-ethoxyphenyl)propanoic acid
CID 53417383
3-(2-ethoxy-5-methylphenyl)pentanoic acid
CID 83958110
4-amino-4-(2-cyclobutyloxy-5-methylphenyl)butanoic acid
CID 117412986
(1R)-1-(2-ethoxy-5-methylphenyl)ethanol
CID 63364902
4-amino-4-(4-ethoxy-2,3-difluorophenyl)butanoic acid
CID 117401243
5-amino-5-(2-ethoxyphenyl)pentanoic acid
CID 82367142

Frequently Asked Questions

What is the IUPAC name of 4-amino-4-(2-ethoxy-5-methylphenyl)butanamide?
The IUPAC name of 4-amino-4-(2-ethoxy-5-methylphenyl)butanamide (CID 62301820) is 4-amino-4-(2-ethoxy-5-methylphenyl)butanamide.
What is the SMILES notation for 4-amino-4-(2-ethoxy-5-methylphenyl)butanamide?
The canonical SMILES for 4-amino-4-(2-ethoxy-5-methylphenyl)butanamide is CCOc1ccc(C)cc1C(N)CCC(N)=O.
What is the InChIKey of 4-amino-4-(2-ethoxy-5-methylphenyl)butanamide?
The InChIKey is ZDZRJHKSLWHGJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-3-17-12-6-4-9(2)8-10(12)11(14)5-7-13(15)16/h4,6,8,11H,3,5,7,14H2,1-2H3,(H2,15,16).
What are the key properties of 4-amino-4-(2-ethoxy-5-methylphenyl)butanamide?
4-amino-4-(2-ethoxy-5-methylphenyl)butanamide has a molecular weight of 236.31 g/mol, XLogP of 1.66, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-4-(2-ethoxy-5-methylphenyl)butanamide is sourced from PubChem (CID 62301820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).