2-amino-N-(2-hydroxy-3-methylbutyl)-5-methylbenzamide

C13H20N2O2 — CID 113491855

IUPAC2-amino-N-(2-hydroxy-3-methylbutyl)-5-methylbenzamide
SMILESCc1ccc(N)c(C(=O)NCC(O)C(C)C)c1
InChIInChI=1S/C13H20N2O2/c1-8(2)12(16)7-15-13(17)10-6-9(3)4-5-11(10)14/h4-6,8,12,16H,7,14H2,1-3H3,(H,15,17)
InChIKeySPHKAUCNCLDSCE-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.32
Rot. Bonds4

About 2-amino-N-(2-hydroxy-3-methylbutyl)-5-methylbenzamide

2-amino-N-(2-hydroxy-3-methylbutyl)-5-methylbenzamide (PubChem CID 113491855) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 2-amino-N-(2-hydroxy-3-methylbutyl)-5-methylbenzamide.

Molecular Properties

Compound Name2-amino-N-(2-hydroxy-3-methylbutyl)-5-methylbenzamide
PubChem CID113491855
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name2-amino-N-(2-hydroxy-3-methylbutyl)-5-methylbenzamide
SMILESCc1ccc(N)c(C(=O)NCC(O)C(C)C)c1
InChIInChI=1S/C13H20N2O2/c1-8(2)12(16)7-15-13(17)10-6-9(3)4-5-11(10)14/h4-6,8,12,16H,7,14H2,1-3H3,(H,15,17)
InChIKeySPHKAUCNCLDSCE-UHFFFAOYSA-N
XLogP1.32
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 ≤ 51.32
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-5-methyl-N-(2-methylpropyl)benzamide
CID 62074325
2-amino-N-(3-hydroxy-2-methylpropyl)-5-methylbenzamide
CID 65036645
2-amino-N-[2-(dimethylamino)propyl]-5-methylbenzamide
CID 62508707
2-amino-N-(2-hydroxy-2-thiophen-3-ylethyl)-5-methylbenzamide
CID 106434384
4-[(2-amino-5-methylbenzoyl)amino]-2-hydroxybutanoic acid
CID 107836086
2-amino-5-methyl-N-[2-(3-methylbutoxy)ethyl]benzamide
CID 62508898
2-amino-N-(4-hydroxypentan-2-yl)-5-methylbenzamide
CID 113375955
2-amino-N-(2-ethoxyethyl)-5-methylbenzamide
CID 62074208
2-amino-N-[2-(2-methoxyethoxy)ethyl]-5-methylbenzamide
CID 62511103
N-(2,3-dimethylbutyl)-2-hydrazinyl-5-methylbenzamide
CID 64581176
5-amino-2,3-dichloro-N-(2-hydroxy-3-methylbutyl)benzamide
CID 107185931
2-amino-5-methyl-N-[(5-methylfuran-2-yl)methyl]benzamide
CID 62523939

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-hydroxy-3-methylbutyl)-5-methylbenzamide?
The IUPAC name of 2-amino-N-(2-hydroxy-3-methylbutyl)-5-methylbenzamide (CID 113491855) is 2-amino-N-(2-hydroxy-3-methylbutyl)-5-methylbenzamide.
What is the SMILES notation for 2-amino-N-(2-hydroxy-3-methylbutyl)-5-methylbenzamide?
The canonical SMILES for 2-amino-N-(2-hydroxy-3-methylbutyl)-5-methylbenzamide is Cc1ccc(N)c(C(=O)NCC(O)C(C)C)c1.
What is the InChIKey of 2-amino-N-(2-hydroxy-3-methylbutyl)-5-methylbenzamide?
The InChIKey is SPHKAUCNCLDSCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-8(2)12(16)7-15-13(17)10-6-9(3)4-5-11(10)14/h4-6,8,12,16H,7,14H2,1-3H3,(H,15,17).
What are the key properties of 2-amino-N-(2-hydroxy-3-methylbutyl)-5-methylbenzamide?
2-amino-N-(2-hydroxy-3-methylbutyl)-5-methylbenzamide has a molecular weight of 236.31 g/mol, XLogP of 1.32, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-hydroxy-3-methylbutyl)-5-methylbenzamide is sourced from PubChem (CID 113491855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).