2-(4-amino-3-hydroxyphenyl)-N-butylacetamide

C12H18N2O2 — CID 69306621

IUPAC2-(4-amino-3-hydroxyphenyl)-N-butylacetamide
SMILESCCCCNC(=O)Cc1ccc(N)c(O)c1
InChIInChI=1S/C12H18N2O2/c1-2-3-6-14-12(16)8-9-4-5-10(13)11(15)7-9/h4-5,7,15H,2-3,6,8,13H2,1H3,(H,14,16)
InChIKeyUGLNVMQENLMITF-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.43
Rot. Bonds5

About 2-(4-amino-3-hydroxyphenyl)-N-butylacetamide

2-(4-amino-3-hydroxyphenyl)-N-butylacetamide (PubChem CID 69306621) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 2-(4-amino-3-hydroxyphenyl)-N-butylacetamide.

Molecular Properties

Compound Name2-(4-amino-3-hydroxyphenyl)-N-butylacetamide
PubChem CID69306621
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name2-(4-amino-3-hydroxyphenyl)-N-butylacetamide
SMILESCCCCNC(=O)Cc1ccc(N)c(O)c1
InChIInChI=1S/C12H18N2O2/c1-2-3-6-14-12(16)8-9-4-5-10(13)11(15)7-9/h4-5,7,15H,2-3,6,8,13H2,1H3,(H,14,16)
InChIKeyUGLNVMQENLMITF-UHFFFAOYSA-N
XLogP1.43
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(4-amino-3-hydroxyphenyl)-N-(3-methoxypropyl)acetamide
CID 69307200
2-(4-amino-3-hydroxyphenyl)-N-(2-hydroxyethyl)acetamide
CID 69305950
4-amino-N-dodecyl-3-hydroxybenzamide
CID 22411110
2-(4-aminophenyl)-N-heptylacetamide
CID 54795787
2-(4-amino-3-hydroxyphenyl)-N-(2,3-dihydroxypropyl)acetamide
CID 69439974
N-dodecyl-2-(4-hydroxyphenyl)acetamide
CID 19597088
2-(4-hydroxyphenyl)-N-octylacetamide
CID 13309827
N-dodecyl-2-[4-[2-(dodecylamino)-2-oxoethyl]-2,5-dihydroxyphenyl]acetamide
CID 15131759
N-butyl-2-(4-methylsulfonylphenyl)acetamide
CID 110771261
2-(3,4-dihydroxyphenyl)-N-[3-[2-[[2-(3,4-dihydroxyphenyl)acetyl]amino]ethylamino]propyl]acetamide
CID 71541168
N-(2-acetamidoethyl)-2-(3,4-dihydroxyphenyl)acetamide
CID 144547616
4-[[2-(3,4-dihydroxyphenyl)acetyl]amino]butyl-[3-[[2-(3,4-dihydroxyphenyl)acetyl]amino]propyl]azanium
CID 71597204

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-3-hydroxyphenyl)-N-butylacetamide?
The IUPAC name of 2-(4-amino-3-hydroxyphenyl)-N-butylacetamide (CID 69306621) is 2-(4-amino-3-hydroxyphenyl)-N-butylacetamide.
What is the SMILES notation for 2-(4-amino-3-hydroxyphenyl)-N-butylacetamide?
The canonical SMILES for 2-(4-amino-3-hydroxyphenyl)-N-butylacetamide is CCCCNC(=O)Cc1ccc(N)c(O)c1.
What is the InChIKey of 2-(4-amino-3-hydroxyphenyl)-N-butylacetamide?
The InChIKey is UGLNVMQENLMITF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-2-3-6-14-12(16)8-9-4-5-10(13)11(15)7-9/h4-5,7,15H,2-3,6,8,13H2,1H3,(H,14,16).
What are the key properties of 2-(4-amino-3-hydroxyphenyl)-N-butylacetamide?
2-(4-amino-3-hydroxyphenyl)-N-butylacetamide has a molecular weight of 222.29 g/mol, XLogP of 1.43, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-3-hydroxyphenyl)-N-butylacetamide is sourced from PubChem (CID 69306621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).