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

C12H18N2O3 — CID 69307200

IUPAC2-(4-amino-3-hydroxyphenyl)-N-(3-methoxypropyl)acetamide
SMILESCOCCCNC(=O)Cc1ccc(N)c(O)c1
InChIInChI=1S/C12H18N2O3/c1-17-6-2-5-14-12(16)8-9-3-4-10(13)11(15)7-9/h3-4,7,15H,2,5-6,8,13H2,1H3,(H,14,16)
InChIKeyZWBISHXJBTVROX-UHFFFAOYSA-N
MW238.29 g/mol
LogP0.67
Rot. Bonds6

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

2-(4-amino-3-hydroxyphenyl)-N-(3-methoxypropyl)acetamide (PubChem CID 69307200) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is 2-(4-amino-3-hydroxyphenyl)-N-(3-methoxypropyl)acetamide.

Molecular Properties

Compound Name2-(4-amino-3-hydroxyphenyl)-N-(3-methoxypropyl)acetamide
PubChem CID69307200
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC Name2-(4-amino-3-hydroxyphenyl)-N-(3-methoxypropyl)acetamide
SMILESCOCCCNC(=O)Cc1ccc(N)c(O)c1
InChIInChI=1S/C12H18N2O3/c1-17-6-2-5-14-12(16)8-9-3-4-10(13)11(15)7-9/h3-4,7,15H,2,5-6,8,13H2,1H3,(H,14,16)
InChIKeyZWBISHXJBTVROX-UHFFFAOYSA-N
XLogP0.67
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 50.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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-butylacetamide
CID 69306621
2-(4-amino-3-hydroxyphenyl)-N-(2-hydroxyethyl)acetamide
CID 69305950
2-(3-fluoro-4-methoxyphenyl)-N-(3-methoxypropyl)acetamide
CID 110766984
2-[4-(6-methoxy-2-oxohexyl)phenyl]-N-(3-methoxypropyl)acetamide
CID 147853289
N-(3-methoxypropyl)-2-(4-propan-2-ylphenyl)acetamide
CID 110766794
2-(4-cyanophenyl)-N-(3-methoxypropyl)acetamide
CID 62404738
N-(3-methoxypropyl)-2-(1,3,3-trimethyl-2-oxoindol-5-yl)acetamide
CID 110771006
2-(4-amino-3-hydroxyphenyl)-N-(2,3-dihydroxypropyl)acetamide
CID 69439974
2-amino-5-[2-(3-methoxypropylamino)-2-oxoethoxy]benzoic acid
CID 107077027
N-(3-methoxypropyl)-2-(1H-pyrrol-3-yl)acetamide
CID 110769094
2-amino-5-methoxy-N-(3-methoxypropyl)benzamide
CID 54878569
4-amino-3-bromo-N-(3-methoxypropyl)benzamide
CID 54850356

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-3-hydroxyphenyl)-N-(3-methoxypropyl)acetamide?
The IUPAC name of 2-(4-amino-3-hydroxyphenyl)-N-(3-methoxypropyl)acetamide (CID 69307200) is 2-(4-amino-3-hydroxyphenyl)-N-(3-methoxypropyl)acetamide.
What is the SMILES notation for 2-(4-amino-3-hydroxyphenyl)-N-(3-methoxypropyl)acetamide?
The canonical SMILES for 2-(4-amino-3-hydroxyphenyl)-N-(3-methoxypropyl)acetamide is COCCCNC(=O)Cc1ccc(N)c(O)c1.
What is the InChIKey of 2-(4-amino-3-hydroxyphenyl)-N-(3-methoxypropyl)acetamide?
The InChIKey is ZWBISHXJBTVROX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3/c1-17-6-2-5-14-12(16)8-9-3-4-10(13)11(15)7-9/h3-4,7,15H,2,5-6,8,13H2,1H3,(H,14,16).
What are the key properties of 2-(4-amino-3-hydroxyphenyl)-N-(3-methoxypropyl)acetamide?
2-(4-amino-3-hydroxyphenyl)-N-(3-methoxypropyl)acetamide has a molecular weight of 238.29 g/mol, XLogP of 0.67, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-3-hydroxyphenyl)-N-(3-methoxypropyl)acetamide is sourced from PubChem (CID 69307200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).