N-(5-amino-2-methylphenyl)-2-[ethyl-(2-hydroxy-2-methylpropyl)amino]acetamide

C15H25N3O2 — CID 79384794

IUPACN-(5-amino-2-methylphenyl)-2-[ethyl-(2-hydroxy-2-methylpropyl)amino]acetamide
SMILESCCN(CC(=O)Nc1cc(N)ccc1C)CC(C)(C)O
InChIInChI=1S/C15H25N3O2/c1-5-18(10-15(3,4)20)9-14(19)17-13-8-12(16)7-6-11(13)2/h6-8,20H,5,9-10,16H2,1-4H3,(H,17,19)
InChIKeySPKGWIDOSFFKCZ-UHFFFAOYSA-N
MW279.38 g/mol
LogP1.61
Rot. Bonds6

About N-(5-amino-2-methylphenyl)-2-[ethyl-(2-hydroxy-2-methylpropyl)amino]acetamide

N-(5-amino-2-methylphenyl)-2-[ethyl-(2-hydroxy-2-methylpropyl)amino]acetamide (PubChem CID 79384794) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is N-(5-amino-2-methylphenyl)-2-[ethyl-(2-hydroxy-2-methylpropyl)amino]acetamide.

Molecular Properties

Compound NameN-(5-amino-2-methylphenyl)-2-[ethyl-(2-hydroxy-2-methylpropyl)amino]acetamide
PubChem CID79384794
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC NameN-(5-amino-2-methylphenyl)-2-[ethyl-(2-hydroxy-2-methylpropyl)amino]acetamide
SMILESCCN(CC(=O)Nc1cc(N)ccc1C)CC(C)(C)O
InChIInChI=1S/C15H25N3O2/c1-5-18(10-15(3,4)20)9-14(19)17-13-8-12(16)7-6-11(13)2/h6-8,20H,5,9-10,16H2,1-4H3,(H,17,19)
InChIKeySPKGWIDOSFFKCZ-UHFFFAOYSA-N
XLogP1.61
TPSA78.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 51.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(4-amino-2-chlorophenyl)-2-[ethyl-(2-hydroxy-2-methylpropyl)amino]acetamide
CID 79384076
N-(2,4-dimethylphenyl)-2-[ethyl-(2-hydroxy-2-methylpropyl)amino]acetamide
CID 78963407
N-(3-aminophenyl)-2-[ethyl-(2-hydroxy-2-methylpropyl)amino]acetamide
CID 79384491
N-(2-amino-5-fluorophenyl)-2-[ethyl-(2-hydroxy-2-methylpropyl)amino]acetamide
CID 79384898
N-(5-amino-2-methylphenyl)-2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]acetamide
CID 107478839
N-(2,6-dimethylphenyl)-2-[ethyl-(2-hydroxy-2-methylpropyl)amino]acetamide
CID 78963573
N-[2-(aminomethyl)phenyl]-2-[ethyl-(2-hydroxy-2-methylpropyl)amino]acetamide
CID 79380838
N-(2-chlorophenyl)-2-[ethyl-(2-hydroxy-2-methylpropyl)amino]acetamide
CID 78962251
N-(4-bromo-3-methylphenyl)-2-[ethyl-(2-hydroxy-2-methylpropyl)amino]acetamide
CID 78962132
N-(4-amino-2-methylphenyl)-2-[[2-(dimethylamino)-2-oxoethyl]-ethylamino]acetamide
CID 43588199
N-(5-amino-2-methylphenyl)-2-[methyl(pentyl)amino]acetamide
CID 43294488
N-(5-amino-2-methylphenyl)-4,4-dimethylpentanamide;hydrochloride
CID 120569223

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2-methylphenyl)-2-[ethyl-(2-hydroxy-2-methylpropyl)amino]acetamide?
The IUPAC name of N-(5-amino-2-methylphenyl)-2-[ethyl-(2-hydroxy-2-methylpropyl)amino]acetamide (CID 79384794) is N-(5-amino-2-methylphenyl)-2-[ethyl-(2-hydroxy-2-methylpropyl)amino]acetamide.
What is the SMILES notation for N-(5-amino-2-methylphenyl)-2-[ethyl-(2-hydroxy-2-methylpropyl)amino]acetamide?
The canonical SMILES for N-(5-amino-2-methylphenyl)-2-[ethyl-(2-hydroxy-2-methylpropyl)amino]acetamide is CCN(CC(=O)Nc1cc(N)ccc1C)CC(C)(C)O.
What is the InChIKey of N-(5-amino-2-methylphenyl)-2-[ethyl-(2-hydroxy-2-methylpropyl)amino]acetamide?
The InChIKey is SPKGWIDOSFFKCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-5-18(10-15(3,4)20)9-14(19)17-13-8-12(16)7-6-11(13)2/h6-8,20H,5,9-10,16H2,1-4H3,(H,17,19).
What are the key properties of N-(5-amino-2-methylphenyl)-2-[ethyl-(2-hydroxy-2-methylpropyl)amino]acetamide?
N-(5-amino-2-methylphenyl)-2-[ethyl-(2-hydroxy-2-methylpropyl)amino]acetamide has a molecular weight of 279.38 g/mol, XLogP of 1.61, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-2-methylphenyl)-2-[ethyl-(2-hydroxy-2-methylpropyl)amino]acetamide is sourced from PubChem (CID 79384794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).