N-(2-amino-4-hydroxyphenyl)-2-(3-ethoxycyclobutyl)acetamide

C14H20N2O3 — CID 107697268

IUPACN-(2-amino-4-hydroxyphenyl)-2-(3-ethoxycyclobutyl)acetamide
SMILESCCOC1CC(CC(=O)Nc2ccc(O)cc2N)C1
InChIInChI=1S/C14H20N2O3/c1-2-19-11-5-9(6-11)7-14(18)16-13-4-3-10(17)8-12(13)15/h3-4,8-9,11,17H,2,5-7,15H2,1H3,(H,16,18)
InChIKeySIDIDQRLBGMESM-UHFFFAOYSA-N
MW264.32 g/mol
LogP2.12
Rot. Bonds5

About N-(2-amino-4-hydroxyphenyl)-2-(3-ethoxycyclobutyl)acetamide

N-(2-amino-4-hydroxyphenyl)-2-(3-ethoxycyclobutyl)acetamide (PubChem CID 107697268) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is N-(2-amino-4-hydroxyphenyl)-2-(3-ethoxycyclobutyl)acetamide.

Molecular Properties

Compound NameN-(2-amino-4-hydroxyphenyl)-2-(3-ethoxycyclobutyl)acetamide
PubChem CID107697268
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC NameN-(2-amino-4-hydroxyphenyl)-2-(3-ethoxycyclobutyl)acetamide
SMILESCCOC1CC(CC(=O)Nc2ccc(O)cc2N)C1
InChIInChI=1S/C14H20N2O3/c1-2-19-11-5-9(6-11)7-14(18)16-13-4-3-10(17)8-12(13)15/h3-4,8-9,11,17H,2,5-7,15H2,1H3,(H,16,18)
InChIKeySIDIDQRLBGMESM-UHFFFAOYSA-N
XLogP2.12
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 52.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4-hydroxyphenyl)-2-(3-ethoxycyclobutyl)acetamide?
The IUPAC name of N-(2-amino-4-hydroxyphenyl)-2-(3-ethoxycyclobutyl)acetamide (CID 107697268) is N-(2-amino-4-hydroxyphenyl)-2-(3-ethoxycyclobutyl)acetamide.
What is the SMILES notation for N-(2-amino-4-hydroxyphenyl)-2-(3-ethoxycyclobutyl)acetamide?
The canonical SMILES for N-(2-amino-4-hydroxyphenyl)-2-(3-ethoxycyclobutyl)acetamide is CCOC1CC(CC(=O)Nc2ccc(O)cc2N)C1.
What is the InChIKey of N-(2-amino-4-hydroxyphenyl)-2-(3-ethoxycyclobutyl)acetamide?
The InChIKey is SIDIDQRLBGMESM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-2-19-11-5-9(6-11)7-14(18)16-13-4-3-10(17)8-12(13)15/h3-4,8-9,11,17H,2,5-7,15H2,1H3,(H,16,18).
What are the key properties of N-(2-amino-4-hydroxyphenyl)-2-(3-ethoxycyclobutyl)acetamide?
N-(2-amino-4-hydroxyphenyl)-2-(3-ethoxycyclobutyl)acetamide has a molecular weight of 264.32 g/mol, XLogP of 2.12, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4-hydroxyphenyl)-2-(3-ethoxycyclobutyl)acetamide is sourced from PubChem (CID 107697268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).