3-amino-N-(4-hydroxy-2-methylbutyl)-2-methylbenzamide

C13H20N2O2 — CID 66091959

IUPAC3-amino-N-(4-hydroxy-2-methylbutyl)-2-methylbenzamide
SMILESCc1c(N)cccc1C(=O)NCC(C)CCO
InChIInChI=1S/C13H20N2O2/c1-9(6-7-16)8-15-13(17)11-4-3-5-12(14)10(11)2/h3-5,9,16H,6-8,14H2,1-2H3,(H,15,17)
InChIKeyZTRQNRLQUPTZBM-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.33
Rot. Bonds5

About 3-amino-N-(4-hydroxy-2-methylbutyl)-2-methylbenzamide

3-amino-N-(4-hydroxy-2-methylbutyl)-2-methylbenzamide (PubChem CID 66091959) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 3-amino-N-(4-hydroxy-2-methylbutyl)-2-methylbenzamide.

Molecular Properties

Compound Name3-amino-N-(4-hydroxy-2-methylbutyl)-2-methylbenzamide
PubChem CID66091959
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name3-amino-N-(4-hydroxy-2-methylbutyl)-2-methylbenzamide
SMILESCc1c(N)cccc1C(=O)NCC(C)CCO
InChIInChI=1S/C13H20N2O2/c1-9(6-7-16)8-15-13(17)11-4-3-5-12(14)10(11)2/h3-5,9,16H,6-8,14H2,1-2H3,(H,15,17)
InChIKeyZTRQNRLQUPTZBM-UHFFFAOYSA-N
XLogP1.33
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.33
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

3-amino-2-methyl-N-(2,3,3-trimethylbutyl)benzamide
CID 83142819
N-(4-amino-2-methylbutyl)-2,3-dimethylbenzamide
CID 66092297
(2S)-2-[(3-amino-2-methylbenzoyl)amino]-4-hydroxybutanoic acid
CID 107824809
N-(4-hydroxy-2-methylbutyl)-3-methyl-2-nitrobenzamide
CID 66108848
2-amino-5-chloro-N-(4-hydroxy-2-methylbutyl)benzamide
CID 66091263
2-amino-4-bromo-N-(4-hydroxy-2-methylbutyl)benzamide
CID 79723461
N-(4-chloro-2-methylbutyl)-3-hydroxy-2-methylbenzamide
CID 82831055
N-(4-hydroxy-2-methylbutyl)-2-(propan-2-ylamino)benzamide
CID 66109306
3-amino-N-[2-[di(propan-2-yl)amino]ethyl]-2-methylbenzamide
CID 18070893
3-amino-2-methyl-N-(2-propan-2-yloxyethyl)benzamide
CID 113449772
5-[(3-hydroxy-2-methylbenzoyl)amino]-4-methylpentanoic acid
CID 82826570
5-amino-2,4-difluoro-N-(4-hydroxy-2-methylbutyl)benzamide
CID 66092192

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(4-hydroxy-2-methylbutyl)-2-methylbenzamide?
The IUPAC name of 3-amino-N-(4-hydroxy-2-methylbutyl)-2-methylbenzamide (CID 66091959) is 3-amino-N-(4-hydroxy-2-methylbutyl)-2-methylbenzamide.
What is the SMILES notation for 3-amino-N-(4-hydroxy-2-methylbutyl)-2-methylbenzamide?
The canonical SMILES for 3-amino-N-(4-hydroxy-2-methylbutyl)-2-methylbenzamide is Cc1c(N)cccc1C(=O)NCC(C)CCO.
What is the InChIKey of 3-amino-N-(4-hydroxy-2-methylbutyl)-2-methylbenzamide?
The InChIKey is ZTRQNRLQUPTZBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-9(6-7-16)8-15-13(17)11-4-3-5-12(14)10(11)2/h3-5,9,16H,6-8,14H2,1-2H3,(H,15,17).
What are the key properties of 3-amino-N-(4-hydroxy-2-methylbutyl)-2-methylbenzamide?
3-amino-N-(4-hydroxy-2-methylbutyl)-2-methylbenzamide has a molecular weight of 236.31 g/mol, XLogP of 1.33, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(4-hydroxy-2-methylbutyl)-2-methylbenzamide is sourced from PubChem (CID 66091959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).