2-amino-N-(4-hydroxyphenyl)-4-methoxybutanamide

C11H16N2O3 — CID 62472832

IUPAC2-amino-N-(4-hydroxyphenyl)-4-methoxybutanamide
SMILESCOCCC(N)C(=O)Nc1ccc(O)cc1
InChIInChI=1S/C11H16N2O3/c1-16-7-6-10(12)11(15)13-8-2-4-9(14)5-3-8/h2-5,10,14H,6-7,12H2,1H3,(H,13,15)
InChIKeyXJPPARCOCLCAFT-UHFFFAOYSA-N
MW224.26 g/mol
LogP0.69
Rot. Bonds5

About 2-amino-N-(4-hydroxyphenyl)-4-methoxybutanamide

2-amino-N-(4-hydroxyphenyl)-4-methoxybutanamide (PubChem CID 62472832) has the molecular formula C11H16N2O3 and a molecular weight of 224.26 g/mol. Its IUPAC name is 2-amino-N-(4-hydroxyphenyl)-4-methoxybutanamide.

Molecular Properties

Compound Name2-amino-N-(4-hydroxyphenyl)-4-methoxybutanamide
PubChem CID62472832
Molecular FormulaC11H16N2O3
Molecular Weight224.26 g/mol
Exact Mass224.12
IUPAC Name2-amino-N-(4-hydroxyphenyl)-4-methoxybutanamide
SMILESCOCCC(N)C(=O)Nc1ccc(O)cc1
InChIInChI=1S/C11H16N2O3/c1-16-7-6-10(12)11(15)13-8-2-4-9(14)5-3-8/h2-5,10,14H,6-7,12H2,1H3,(H,13,15)
InChIKeyXJPPARCOCLCAFT-UHFFFAOYSA-N
XLogP0.69
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 50.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[(2-amino-4-methoxybutanoyl)amino]-N-methylbenzamide
CID 55080716
2-amino-N-(4-ethoxyphenyl)-4-methoxybutanamide
CID 55080527
2-amino-N-[4-(ethylsulfonylamino)phenyl]-4-methoxybutanamide
CID 62473931
2-amino-N-[4-(2-amino-2-oxoethoxy)phenyl]-4-methoxybutanamide
CID 62475184
2-amino-N-(4-hydroxyphenyl)-4-methylpentanamide
CID 22768242
methyl N-[4-[(2-amino-5-methoxypentanoyl)amino]phenyl]carbamate
CID 81071019
2-amino-N-(3-bromo-4-methylphenyl)-4-methoxybutanamide
CID 63334647
methyl 4-[(2-amino-5-methoxypentanoyl)amino]benzoate
CID 81089380
2-amino-5-methoxy-N-[4-(propanoylamino)phenyl]pentanamide
CID 81086454
4-[(2-amino-4-methoxybutanoyl)amino]-2-methylbenzoic acid
CID 62476287
5-[(2-amino-4-methoxybutanoyl)amino]benzene-1,3-dicarboxylic acid
CID 62475221
2-amino-N-[4-(dimethylamino)phenyl]-5-methoxypentanamide
CID 81082598

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(4-hydroxyphenyl)-4-methoxybutanamide?
The IUPAC name of 2-amino-N-(4-hydroxyphenyl)-4-methoxybutanamide (CID 62472832) is 2-amino-N-(4-hydroxyphenyl)-4-methoxybutanamide.
What is the SMILES notation for 2-amino-N-(4-hydroxyphenyl)-4-methoxybutanamide?
The canonical SMILES for 2-amino-N-(4-hydroxyphenyl)-4-methoxybutanamide is COCCC(N)C(=O)Nc1ccc(O)cc1.
What is the InChIKey of 2-amino-N-(4-hydroxyphenyl)-4-methoxybutanamide?
The InChIKey is XJPPARCOCLCAFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3/c1-16-7-6-10(12)11(15)13-8-2-4-9(14)5-3-8/h2-5,10,14H,6-7,12H2,1H3,(H,13,15).
What are the key properties of 2-amino-N-(4-hydroxyphenyl)-4-methoxybutanamide?
2-amino-N-(4-hydroxyphenyl)-4-methoxybutanamide has a molecular weight of 224.26 g/mol, XLogP of 0.69, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(4-hydroxyphenyl)-4-methoxybutanamide is sourced from PubChem (CID 62472832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).