(2R)-2-amino-N-(3-hydroxy-4-methylphenyl)-4-methylpentanamide

C13H20N2O2 — CID 107701657

IUPAC(2R)-2-amino-N-(3-hydroxy-4-methylphenyl)-4-methylpentanamide
SMILESCc1ccc(NC(=O)[C@H](N)CC(C)C)cc1O
InChIInChI=1S/C13H20N2O2/c1-8(2)6-11(14)13(17)15-10-5-4-9(3)12(16)7-10/h4-5,7-8,11,16H,6,14H2,1-3H3,(H,15,17)/t11-/m1/s1
InChIKeyZARUXTRGRBSXDD-LLVKDONJSA-N
MW236.31 g/mol
LogP2.01
Rot. Bonds4

About (2R)-2-amino-N-(3-hydroxy-4-methylphenyl)-4-methylpentanamide

(2R)-2-amino-N-(3-hydroxy-4-methylphenyl)-4-methylpentanamide (PubChem CID 107701657) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is (2R)-2-amino-N-(3-hydroxy-4-methylphenyl)-4-methylpentanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-(3-hydroxy-4-methylphenyl)-4-methylpentanamide
PubChem CID107701657
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name(2R)-2-amino-N-(3-hydroxy-4-methylphenyl)-4-methylpentanamide
SMILESCc1ccc(NC(=O)[C@H](N)CC(C)C)cc1O
InChIInChI=1S/C13H20N2O2/c1-8(2)6-11(14)13(17)15-10-5-4-9(3)12(16)7-10/h4-5,7-8,11,16H,6,14H2,1-3H3,(H,15,17)/t11-/m1/s1
InChIKeyZARUXTRGRBSXDD-LLVKDONJSA-N
XLogP2.01
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 52.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[(2S)-2-amino-4-methylpentanoyl]amino]-2-hydroxybenzoic acid
CID 61159275
2-amino-N-[3-(dimethylamino)-4-methylphenyl]-4-methylpentanamide
CID 115377243
2-amino-N-(3-hydroxy-4-methoxyphenyl)-4-methylpentanamide
CID 43710840
2-amino-N-(4-hydroxyphenyl)-4-methylpentanamide
CID 22768242
(2S)-2-amino-4-methyl-N-(3-methylphenyl)pentanamide
CID 22691033
2-amino-4-methyl-N-naphthalen-2-ylpentanamide chloride
CID 5351894
2-amino-4-methyl-N-(4-propan-2-ylphenyl)pentanamide
CID 24696711
(2S)-2-amino-N-(3-aminophenyl)-4-methylpentanamide
CID 110482503
2-amino-N-(2,5-dimethylphenyl)-4-methylpentanamide
CID 24690389
(2S)-2-amino-4-methyl-N-quinoxalin-6-ylpentanamide
CID 61179769
3-amino-N-(3-hydroxy-4-methylphenyl)-2-methyl-3-phenylpropanamide
CID 107701634
(2R)-2-amino-N-(6-bromonaphthalen-2-yl)-4-methylpentanamide
CID 104903779

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-(3-hydroxy-4-methylphenyl)-4-methylpentanamide?
The IUPAC name of (2R)-2-amino-N-(3-hydroxy-4-methylphenyl)-4-methylpentanamide (CID 107701657) is (2R)-2-amino-N-(3-hydroxy-4-methylphenyl)-4-methylpentanamide.
What is the SMILES notation for (2R)-2-amino-N-(3-hydroxy-4-methylphenyl)-4-methylpentanamide?
The canonical SMILES for (2R)-2-amino-N-(3-hydroxy-4-methylphenyl)-4-methylpentanamide is Cc1ccc(NC(=O)[C@H](N)CC(C)C)cc1O.
What is the InChIKey of (2R)-2-amino-N-(3-hydroxy-4-methylphenyl)-4-methylpentanamide?
The InChIKey is ZARUXTRGRBSXDD-LLVKDONJSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-8(2)6-11(14)13(17)15-10-5-4-9(3)12(16)7-10/h4-5,7-8,11,16H,6,14H2,1-3H3,(H,15,17)/t11-/m1/s1.
What are the key properties of (2R)-2-amino-N-(3-hydroxy-4-methylphenyl)-4-methylpentanamide?
(2R)-2-amino-N-(3-hydroxy-4-methylphenyl)-4-methylpentanamide has a molecular weight of 236.31 g/mol, XLogP of 2.01, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-(3-hydroxy-4-methylphenyl)-4-methylpentanamide is sourced from PubChem (CID 107701657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).