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

C14H22N2O2 — CID 106289291

IUPAC3-amino-N-(2-hydroxy-2-methylpentyl)-4-methylbenzamide
SMILESCCCC(C)(O)CNC(=O)c1ccc(C)c(N)c1
InChIInChI=1S/C14H22N2O2/c1-4-7-14(3,18)9-16-13(17)11-6-5-10(2)12(15)8-11/h5-6,8,18H,4,7,9,15H2,1-3H3,(H,16,17)
InChIKeyIZOPQXYZQBDOQH-UHFFFAOYSA-N
MW250.34 g/mol
LogP1.86
Rot. Bonds5

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

3-amino-N-(2-hydroxy-2-methylpentyl)-4-methylbenzamide (PubChem CID 106289291) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 3-amino-N-(2-hydroxy-2-methylpentyl)-4-methylbenzamide.

Molecular Properties

Compound Name3-amino-N-(2-hydroxy-2-methylpentyl)-4-methylbenzamide
PubChem CID106289291
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name3-amino-N-(2-hydroxy-2-methylpentyl)-4-methylbenzamide
SMILESCCCC(C)(O)CNC(=O)c1ccc(C)c(N)c1
InChIInChI=1S/C14H22N2O2/c1-4-7-14(3,18)9-16-13(17)11-6-5-10(2)12(15)8-11/h5-6,8,18H,4,7,9,15H2,1-3H3,(H,16,17)
InChIKeyIZOPQXYZQBDOQH-UHFFFAOYSA-N
XLogP1.86
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.86
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-4-bromo-N-(2-hydroxy-2-methylpentyl)benzamide
CID 106289346
4-chloro-N-(2-hydroxy-2-methylpentyl)-3-methylbenzamide
CID 103760453
3,4-dichloro-N-(2-hydroxy-2-methylpentyl)benzamide
CID 113240344
3-amino-N-[2-(dimethylamino)-2-methylpropyl]-4-methylbenzamide
CID 54979034
ethyl 2-[(3-amino-4-methylbenzoyl)amino]acetate
CID 60810629
2-[[(3-amino-4-methylbenzoyl)amino]methyl]-2-ethylbutanoic acid
CID 115430375
3-amino-4-methyl-N-(2-methyl-2-phenylpropyl)benzamide
CID 60987768
N-(2-hydroxy-2-methylpentyl)quinoxaline-6-carboxamide
CID 103713237
4-fluoro-N-(2-hydroxy-2-methylpentyl)benzamide
CID 113240357
N-(2-hydroxy-2-methylpentyl)-1,2,3,4-tetrahydroisoquinoline-7-carboxamide
CID 106292129
5-chloro-N-(2-hydroxy-2-methylpentyl)-2-methylbenzamide
CID 103842862
3-bromo-N-(2-hydroxy-2-methylpentyl)-4-methoxybenzamide
CID 103713122

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-hydroxy-2-methylpentyl)-4-methylbenzamide?
The IUPAC name of 3-amino-N-(2-hydroxy-2-methylpentyl)-4-methylbenzamide (CID 106289291) is 3-amino-N-(2-hydroxy-2-methylpentyl)-4-methylbenzamide.
What is the SMILES notation for 3-amino-N-(2-hydroxy-2-methylpentyl)-4-methylbenzamide?
The canonical SMILES for 3-amino-N-(2-hydroxy-2-methylpentyl)-4-methylbenzamide is CCCC(C)(O)CNC(=O)c1ccc(C)c(N)c1.
What is the InChIKey of 3-amino-N-(2-hydroxy-2-methylpentyl)-4-methylbenzamide?
The InChIKey is IZOPQXYZQBDOQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-4-7-14(3,18)9-16-13(17)11-6-5-10(2)12(15)8-11/h5-6,8,18H,4,7,9,15H2,1-3H3,(H,16,17).
What are the key properties of 3-amino-N-(2-hydroxy-2-methylpentyl)-4-methylbenzamide?
3-amino-N-(2-hydroxy-2-methylpentyl)-4-methylbenzamide has a molecular weight of 250.34 g/mol, XLogP of 1.86, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-hydroxy-2-methylpentyl)-4-methylbenzamide is sourced from PubChem (CID 106289291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).