2-amino-N-(4-hydroxypentan-2-yl)-5-methylbenzamide

C13H20N2O2 — CID 113375955

IUPAC2-amino-N-(4-hydroxypentan-2-yl)-5-methylbenzamide
SMILESCc1ccc(N)c(C(=O)NC(C)CC(C)O)c1
InChIInChI=1S/C13H20N2O2/c1-8-4-5-12(14)11(6-8)13(17)15-9(2)7-10(3)16/h4-6,9-10,16H,7,14H2,1-3H3,(H,15,17)
InChIKeyJOOGLODQPLBNPF-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.47
Rot. Bonds4

About 2-amino-N-(4-hydroxypentan-2-yl)-5-methylbenzamide

2-amino-N-(4-hydroxypentan-2-yl)-5-methylbenzamide (PubChem CID 113375955) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 2-amino-N-(4-hydroxypentan-2-yl)-5-methylbenzamide.

Molecular Properties

Compound Name2-amino-N-(4-hydroxypentan-2-yl)-5-methylbenzamide
PubChem CID113375955
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name2-amino-N-(4-hydroxypentan-2-yl)-5-methylbenzamide
SMILESCc1ccc(N)c(C(=O)NC(C)CC(C)O)c1
InChIInChI=1S/C13H20N2O2/c1-8-4-5-12(14)11(6-8)13(17)15-9(2)7-10(3)16/h4-6,9-10,16H,7,14H2,1-3H3,(H,15,17)
InChIKeyJOOGLODQPLBNPF-UHFFFAOYSA-N
XLogP1.47
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 ≤ 51.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-(1-cyclopropylpropan-2-yl)-5-methylbenzamide
CID 63993821
2-amino-5-methyl-N-[1-(2-methylphenyl)propan-2-yl]benzamide
CID 62060793
methyl (2S)-2-[(2-amino-5-methylbenzoyl)amino]-4-methylpentanoate
CID 103954859
2-amino-5-methyl-N-(1-thiophen-3-ylpropan-2-yl)benzamide
CID 62509065
2-amino-5-methyl-N-(2-methylpropyl)benzamide
CID 62074325
2-amino-N-[(2S)-1-hydroxybutan-2-yl]-5-methylbenzamide
CID 107211525
4-bromo-N-(4-hydroxypentan-2-yl)-2-methylbenzamide
CID 113376588
2-amino-N-(2-hydroxy-3-methylbutyl)-5-methylbenzamide
CID 113491855
2-amino-N-[1-(dimethylamino)-3-methylbutan-2-yl]-5-methylbenzamide
CID 55082851
2-hydroxy-5-methyl-N-(4-methylpentan-2-yl)benzamide
CID 43372458
N-(4-aminopentan-2-yl)-2-methoxy-5-methylbenzamide
CID 113376825
2-amino-N-(3-hydroxy-2-methylpropyl)-5-methylbenzamide
CID 65036645

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(4-hydroxypentan-2-yl)-5-methylbenzamide?
The IUPAC name of 2-amino-N-(4-hydroxypentan-2-yl)-5-methylbenzamide (CID 113375955) is 2-amino-N-(4-hydroxypentan-2-yl)-5-methylbenzamide.
What is the SMILES notation for 2-amino-N-(4-hydroxypentan-2-yl)-5-methylbenzamide?
The canonical SMILES for 2-amino-N-(4-hydroxypentan-2-yl)-5-methylbenzamide is Cc1ccc(N)c(C(=O)NC(C)CC(C)O)c1.
What is the InChIKey of 2-amino-N-(4-hydroxypentan-2-yl)-5-methylbenzamide?
The InChIKey is JOOGLODQPLBNPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-8-4-5-12(14)11(6-8)13(17)15-9(2)7-10(3)16/h4-6,9-10,16H,7,14H2,1-3H3,(H,15,17).
What are the key properties of 2-amino-N-(4-hydroxypentan-2-yl)-5-methylbenzamide?
2-amino-N-(4-hydroxypentan-2-yl)-5-methylbenzamide has a molecular weight of 236.31 g/mol, XLogP of 1.47, 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-hydroxypentan-2-yl)-5-methylbenzamide is sourced from PubChem (CID 113375955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).