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

C12H18N2O2 — CID 22768242

IUPAC2-amino-N-(4-hydroxyphenyl)-4-methylpentanamide
SMILESCC(C)CC(N)C(=O)Nc1ccc(O)cc1
InChIInChI=1S/C12H18N2O2/c1-8(2)7-11(13)12(16)14-9-3-5-10(15)6-4-9/h3-6,8,11,15H,7,13H2,1-2H3,(H,14,16)
InChIKeyJPADIVNOLIEYAV-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.70
Rot. Bonds4

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

2-amino-N-(4-hydroxyphenyl)-4-methylpentanamide (PubChem CID 22768242) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 2-amino-N-(4-hydroxyphenyl)-4-methylpentanamide.

Molecular Properties

Compound Name2-amino-N-(4-hydroxyphenyl)-4-methylpentanamide
PubChem CID22768242
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name2-amino-N-(4-hydroxyphenyl)-4-methylpentanamide
SMILESCC(C)CC(N)C(=O)Nc1ccc(O)cc1
InChIInChI=1S/C12H18N2O2/c1-8(2)7-11(13)12(16)14-9-3-5-10(15)6-4-9/h3-6,8,11,15H,7,13H2,1-2H3,(H,14,16)
InChIKeyJPADIVNOLIEYAV-UHFFFAOYSA-N
XLogP1.70
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-4-methyl-N-(4-propan-2-ylphenyl)pentanamide
CID 24696711
(2S)-2-amino-4-methyl-N-(4-methylsulfonylphenyl)pentanamide
CID 61148804
(2S)-2-amino-4-methyl-N-(4-propan-2-yloxyphenyl)pentanamide
CID 22691065
(2R)-2-amino-N-(4-hydroxyphenyl)propanamide
CID 78972563
(2R)-2-amino-4-methyl-N-(4-nitrophenyl)pentanamide
CID 7269396
N-[4-[[(2S)-2-amino-4-methylpentanoyl]amino]phenyl]cyclopropanecarboxamide
CID 61252642
(2S)-2-amino-N-[4-[[2-(dimethylamino)acetyl]amino]phenyl]-4-methylpentanamide
CID 119885345
(2R)-2-amino-N-[4-[hydroxy(oxido)amino]phenyl]-4-methylpentanamide
CID 163140404
(2R)-2-amino-N-(3-hydroxy-4-methylphenyl)-4-methylpentanamide
CID 107701657
2-amino-N-(4-hydroxyphenyl)-4-methoxybutanamide
CID 62472832
(2S)-2-amino-4-methyl-N-[4-(sulfamoylmethyl)phenyl]pentanamide;hydrochloride
CID 119701898
3-[4-[[(2R)-2-amino-4-methylpentanoyl]amino]phenyl]butanoic acid
CID 104903971

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(4-hydroxyphenyl)-4-methylpentanamide?
The IUPAC name of 2-amino-N-(4-hydroxyphenyl)-4-methylpentanamide (CID 22768242) is 2-amino-N-(4-hydroxyphenyl)-4-methylpentanamide.
What is the SMILES notation for 2-amino-N-(4-hydroxyphenyl)-4-methylpentanamide?
The canonical SMILES for 2-amino-N-(4-hydroxyphenyl)-4-methylpentanamide is CC(C)CC(N)C(=O)Nc1ccc(O)cc1.
What is the InChIKey of 2-amino-N-(4-hydroxyphenyl)-4-methylpentanamide?
The InChIKey is JPADIVNOLIEYAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-8(2)7-11(13)12(16)14-9-3-5-10(15)6-4-9/h3-6,8,11,15H,7,13H2,1-2H3,(H,14,16).
What are the key properties of 2-amino-N-(4-hydroxyphenyl)-4-methylpentanamide?
2-amino-N-(4-hydroxyphenyl)-4-methylpentanamide has a molecular weight of 222.29 g/mol, XLogP of 1.70, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(4-hydroxyphenyl)-4-methylpentanamide is sourced from PubChem (CID 22768242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).