2-amino-5-hydroxy-N-methyl-N-(4-methylpentan-2-yl)benzamide

C14H22N2O2 — CID 107074456

IUPAC2-amino-5-hydroxy-N-methyl-N-(4-methylpentan-2-yl)benzamide
SMILESCC(C)CC(C)N(C)C(=O)c1cc(O)ccc1N
InChIInChI=1S/C14H22N2O2/c1-9(2)7-10(3)16(4)14(18)12-8-11(17)5-6-13(12)15/h5-6,8-10,17H,7,15H2,1-4H3
InChIKeyISDVCYVIFUMTJO-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.48
Rot. Bonds4

About 2-amino-5-hydroxy-N-methyl-N-(4-methylpentan-2-yl)benzamide

2-amino-5-hydroxy-N-methyl-N-(4-methylpentan-2-yl)benzamide (PubChem CID 107074456) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 2-amino-5-hydroxy-N-methyl-N-(4-methylpentan-2-yl)benzamide.

Molecular Properties

Compound Name2-amino-5-hydroxy-N-methyl-N-(4-methylpentan-2-yl)benzamide
PubChem CID107074456
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name2-amino-5-hydroxy-N-methyl-N-(4-methylpentan-2-yl)benzamide
SMILESCC(C)CC(C)N(C)C(=O)c1cc(O)ccc1N
InChIInChI=1S/C14H22N2O2/c1-9(2)7-10(3)16(4)14(18)12-8-11(17)5-6-13(12)15/h5-6,8-10,17H,7,15H2,1-4H3
InChIKeyISDVCYVIFUMTJO-UHFFFAOYSA-N
XLogP2.48
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-5-hydroxy-N,N-bis(2-methylpropyl)benzamide
CID 107074162
4-chloro-2-hydroxy-N-methyl-N-(4-methylpentan-2-yl)benzamide
CID 54942659
5-amino-2-bromo-4-fluoro-N-methyl-N-(4-methylpentan-2-yl)benzamide
CID 62815256
N-(1-bromopropan-2-yl)-2,4-dihydroxy-N-methylbenzamide
CID 107726128
N-(1-bromopropan-2-yl)-2,5-dihydroxy-N-methylbenzamide
CID 107726127
2,4-dibromo-N-methyl-N-(4-methylpentan-2-yl)benzamide
CID 114019946
2-bromo-5-methoxy-N-methyl-N-(4-methylpentan-2-yl)benzamide
CID 60745117
2-amino-N-[1-(2-fluorophenyl)ethyl]-5-hydroxy-N-methylbenzamide
CID 107074458
2-amino-5-hydroxy-N-(2-hydroxyethyl)-N-propan-2-ylbenzamide
CID 107074136
2-amino-N-methyl-N-(4-methylpentan-2-yl)pyridine-3-carboxamide
CID 62058999
2-amino-N,5-dimethyl-N-(1-methylsulfanylpropan-2-yl)benzamide
CID 112656503
4-amino-N-methyl-N-(4-methylpentan-2-yl)-3-nitrobenzamide
CID 46402417

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-hydroxy-N-methyl-N-(4-methylpentan-2-yl)benzamide?
The IUPAC name of 2-amino-5-hydroxy-N-methyl-N-(4-methylpentan-2-yl)benzamide (CID 107074456) is 2-amino-5-hydroxy-N-methyl-N-(4-methylpentan-2-yl)benzamide.
What is the SMILES notation for 2-amino-5-hydroxy-N-methyl-N-(4-methylpentan-2-yl)benzamide?
The canonical SMILES for 2-amino-5-hydroxy-N-methyl-N-(4-methylpentan-2-yl)benzamide is CC(C)CC(C)N(C)C(=O)c1cc(O)ccc1N.
What is the InChIKey of 2-amino-5-hydroxy-N-methyl-N-(4-methylpentan-2-yl)benzamide?
The InChIKey is ISDVCYVIFUMTJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-9(2)7-10(3)16(4)14(18)12-8-11(17)5-6-13(12)15/h5-6,8-10,17H,7,15H2,1-4H3.
What are the key properties of 2-amino-5-hydroxy-N-methyl-N-(4-methylpentan-2-yl)benzamide?
2-amino-5-hydroxy-N-methyl-N-(4-methylpentan-2-yl)benzamide has a molecular weight of 250.34 g/mol, XLogP of 2.48, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-hydroxy-N-methyl-N-(4-methylpentan-2-yl)benzamide is sourced from PubChem (CID 107074456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).