5-amino-N-(2-hydroxy-4-methoxyphenyl)-4-methylpentanamide

C13H20N2O3 — CID 102695232

IUPAC5-amino-N-(2-hydroxy-4-methoxyphenyl)-4-methylpentanamide
SMILESCOc1ccc(NC(=O)CCC(C)CN)c(O)c1
InChIInChI=1S/C13H20N2O3/c1-9(8-14)3-6-13(17)15-11-5-4-10(18-2)7-12(11)16/h4-5,7,9,16H,3,6,8,14H2,1-2H3,(H,15,17)
InChIKeyHXYOBDCHVUINLG-UHFFFAOYSA-N
MW252.31 g/mol
LogP1.71
Rot. Bonds6

About 5-amino-N-(2-hydroxy-4-methoxyphenyl)-4-methylpentanamide

5-amino-N-(2-hydroxy-4-methoxyphenyl)-4-methylpentanamide (PubChem CID 102695232) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is 5-amino-N-(2-hydroxy-4-methoxyphenyl)-4-methylpentanamide.

Molecular Properties

Compound Name5-amino-N-(2-hydroxy-4-methoxyphenyl)-4-methylpentanamide
PubChem CID102695232
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Name5-amino-N-(2-hydroxy-4-methoxyphenyl)-4-methylpentanamide
SMILESCOc1ccc(NC(=O)CCC(C)CN)c(O)c1
InChIInChI=1S/C13H20N2O3/c1-9(8-14)3-6-13(17)15-11-5-4-10(18-2)7-12(11)16/h4-5,7,9,16H,3,6,8,14H2,1-2H3,(H,15,17)
InChIKeyHXYOBDCHVUINLG-UHFFFAOYSA-N
XLogP1.71
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 51.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-amino-N-[4-methoxy-2-(trifluoromethyl)phenyl]-4-methylpentanamide
CID 82013444
5-amino-N-(2-hydroxy-4-methoxyphenyl)pentanamide
CID 102695132
5-amino-N-(4-methoxyphenyl)-4-methylpentanamide
CID 82017203
N-(2-hydroxy-4-methoxyphenyl)-3-(methylamino)propanamide
CID 102695280
6-amino-N-(2-hydroxy-4-methoxyphenyl)-4,4-dimethylhexanamide
CID 102695165
5-amino-N-(4-hydroxy-2-methylphenyl)-4-methylpentanamide
CID 82689437
5-amino-N-(3-methoxyphenyl)-4-methylpentanamide
CID 82682498
N-(2-hydroxy-4-methoxyphenyl)-2-(4-methoxyphenyl)acetamide
CID 154796139
5-amino-N-(4,5-dimethoxy-2-methylphenyl)-4-methylpentanamide
CID 82012097
(2S)-2-amino-N-[2-(2-hydroxy-4-methoxyanilino)-2-oxoethyl]-3-methylbutanamide
CID 102695315
5-amino-N-(5-bromo-2-hydroxyphenyl)-4-methylpentanamide
CID 82688311
3-amino-N-(2-hydroxy-4-methoxyphenyl)-3-phenylpropanamide
CID 102695385

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(2-hydroxy-4-methoxyphenyl)-4-methylpentanamide?
The IUPAC name of 5-amino-N-(2-hydroxy-4-methoxyphenyl)-4-methylpentanamide (CID 102695232) is 5-amino-N-(2-hydroxy-4-methoxyphenyl)-4-methylpentanamide.
What is the SMILES notation for 5-amino-N-(2-hydroxy-4-methoxyphenyl)-4-methylpentanamide?
The canonical SMILES for 5-amino-N-(2-hydroxy-4-methoxyphenyl)-4-methylpentanamide is COc1ccc(NC(=O)CCC(C)CN)c(O)c1.
What is the InChIKey of 5-amino-N-(2-hydroxy-4-methoxyphenyl)-4-methylpentanamide?
The InChIKey is HXYOBDCHVUINLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-9(8-14)3-6-13(17)15-11-5-4-10(18-2)7-12(11)16/h4-5,7,9,16H,3,6,8,14H2,1-2H3,(H,15,17).
What are the key properties of 5-amino-N-(2-hydroxy-4-methoxyphenyl)-4-methylpentanamide?
5-amino-N-(2-hydroxy-4-methoxyphenyl)-4-methylpentanamide has a molecular weight of 252.31 g/mol, XLogP of 1.71, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(2-hydroxy-4-methoxyphenyl)-4-methylpentanamide is sourced from PubChem (CID 102695232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).