N-(2-amino-4-hydroxyphenyl)-4-methoxy-3-methylbutanamide

C12H18N2O3 — CID 107697356

IUPACN-(2-amino-4-hydroxyphenyl)-4-methoxy-3-methylbutanamide
SMILESCOCC(C)CC(=O)Nc1ccc(O)cc1N
InChIInChI=1S/C12H18N2O3/c1-8(7-17-2)5-12(16)14-11-4-3-9(15)6-10(11)13/h3-4,6,8,15H,5,7,13H2,1-2H3,(H,14,16)
InChIKeyBSYBODZQXRROOK-UHFFFAOYSA-N
MW238.29 g/mol
LogP1.59
Rot. Bonds5

About N-(2-amino-4-hydroxyphenyl)-4-methoxy-3-methylbutanamide

N-(2-amino-4-hydroxyphenyl)-4-methoxy-3-methylbutanamide (PubChem CID 107697356) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is N-(2-amino-4-hydroxyphenyl)-4-methoxy-3-methylbutanamide.

Molecular Properties

Compound NameN-(2-amino-4-hydroxyphenyl)-4-methoxy-3-methylbutanamide
PubChem CID107697356
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC NameN-(2-amino-4-hydroxyphenyl)-4-methoxy-3-methylbutanamide
SMILESCOCC(C)CC(=O)Nc1ccc(O)cc1N
InChIInChI=1S/C12H18N2O3/c1-8(7-17-2)5-12(16)14-11-4-3-9(15)6-10(11)13/h3-4,6,8,15H,5,7,13H2,1-2H3,(H,14,16)
InChIKeyBSYBODZQXRROOK-UHFFFAOYSA-N
XLogP1.59
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 51.59
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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Related Compounds

N-(2-amino-4-hydroxyphenyl)-3-methoxypropanamide
CID 107697634
5-methoxy-2-[(4-methoxy-3-methylbutanoyl)amino]benzoic acid
CID 115410936
4-hydroxy-3-[(4-methoxy-3-methylbutanoyl)amino]benzoic acid
CID 107264668
N-(2-amino-4-hydroxyphenyl)-3-(2,2-difluoroethoxy)propanamide
CID 107697254
N-(2-amino-4-hydroxyphenyl)-2-methylpropanamide
CID 107697096
N-(2-amino-4-methylphenyl)-3-methylpentanamide
CID 114873461
N-(2-bromo-5-fluorophenyl)-4-methoxy-3-methylbutanamide
CID 103753613
N-(2-amino-4-hydroxyphenyl)-2-(2-methoxyphenyl)acetamide
CID 107697668
4-iodo-3-[(4-methoxy-3-methylbutanoyl)amino]benzoic acid
CID 112750047
N-(2-chloro-5-methyl-3-pyridinyl)-4-methoxy-3-methylbutanamide
CID 102979772
3-(2-amino-4-hydroxyphenyl)-1,1-diethylurea
CID 107698052
N-(2-amino-4-hydroxyphenyl)-2-(3-ethoxycyclobutyl)acetamide
CID 107697268

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4-hydroxyphenyl)-4-methoxy-3-methylbutanamide?
The IUPAC name of N-(2-amino-4-hydroxyphenyl)-4-methoxy-3-methylbutanamide (CID 107697356) is N-(2-amino-4-hydroxyphenyl)-4-methoxy-3-methylbutanamide.
What is the SMILES notation for N-(2-amino-4-hydroxyphenyl)-4-methoxy-3-methylbutanamide?
The canonical SMILES for N-(2-amino-4-hydroxyphenyl)-4-methoxy-3-methylbutanamide is COCC(C)CC(=O)Nc1ccc(O)cc1N.
What is the InChIKey of N-(2-amino-4-hydroxyphenyl)-4-methoxy-3-methylbutanamide?
The InChIKey is BSYBODZQXRROOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3/c1-8(7-17-2)5-12(16)14-11-4-3-9(15)6-10(11)13/h3-4,6,8,15H,5,7,13H2,1-2H3,(H,14,16).
What are the key properties of N-(2-amino-4-hydroxyphenyl)-4-methoxy-3-methylbutanamide?
N-(2-amino-4-hydroxyphenyl)-4-methoxy-3-methylbutanamide has a molecular weight of 238.29 g/mol, XLogP of 1.59, 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)-4-methoxy-3-methylbutanamide is sourced from PubChem (CID 107697356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).