N-[3-amino-4-[(2-hydroxy-2-methylpropyl)amino]phenyl]-2,2-dimethylbutanamide

C16H27N3O2 — CID 89411567

IUPACN-[3-amino-4-[(2-hydroxy-2-methylpropyl)amino]phenyl]-2,2-dimethylbutanamide
SMILESCCC(C)(C)C(=O)Nc1ccc(NCC(C)(C)O)c(N)c1
InChIInChI=1S/C16H27N3O2/c1-6-15(2,3)14(20)19-11-7-8-13(12(17)9-11)18-10-16(4,5)21/h7-9,18,21H,6,10,17H2,1-5H3,(H,19,20)
InChIKeySZNLMEHZNSONEG-UHFFFAOYSA-N
MW293.41 g/mol
LogP2.83
Rot. Bonds6

About N-[3-amino-4-[(2-hydroxy-2-methylpropyl)amino]phenyl]-2,2-dimethylbutanamide

N-[3-amino-4-[(2-hydroxy-2-methylpropyl)amino]phenyl]-2,2-dimethylbutanamide (PubChem CID 89411567) has the molecular formula C16H27N3O2 and a molecular weight of 293.41 g/mol. Its IUPAC name is N-[3-amino-4-[(2-hydroxy-2-methylpropyl)amino]phenyl]-2,2-dimethylbutanamide.

Molecular Properties

Compound NameN-[3-amino-4-[(2-hydroxy-2-methylpropyl)amino]phenyl]-2,2-dimethylbutanamide
PubChem CID89411567
Molecular FormulaC16H27N3O2
Molecular Weight293.41 g/mol
Exact Mass293.21
IUPAC NameN-[3-amino-4-[(2-hydroxy-2-methylpropyl)amino]phenyl]-2,2-dimethylbutanamide
SMILESCCC(C)(C)C(=O)Nc1ccc(NCC(C)(C)O)c(N)c1
InChIInChI=1S/C16H27N3O2/c1-6-15(2,3)14(20)19-11-7-8-13(12(17)9-11)18-10-16(4,5)21/h7-9,18,21H,6,10,17H2,1-5H3,(H,19,20)
InChIKeySZNLMEHZNSONEG-UHFFFAOYSA-N
XLogP2.83
TPSA87.38 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 52.83
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[3-amino-4-[(3-amino-3-oxopropyl)amino]phenyl]-2,2-dimethylpentanamide
CID 89411525
N-(2-amino-4-fluorophenyl)-2,2-dimethylbutanamide
CID 28691399
N-(4-chlorophenyl)-2,2-dimethylbutanamide
CID 842553
N-[2-amino-1-(3-hydroxy-3-methylbutyl)benzimidazol-5-yl]-2,2-dimethylbutanamide
CID 144530614
N-[2-amino-4-(3,3-dimethylbutanoyl)phenyl]-2,2-dimethylbutanamide
CID 151797393
N-(4-formylphenyl)-2,2-dimethylbutanamide
CID 89484843
N-[3-(aminomethyl)-4-fluorophenyl]-2,2-dimethylbutanamide
CID 62677434
2,2-dimethyl-N-(3-methyl-4-sulfamoylphenyl)butanamide
CID 62677678
2,2-dimethyl-N-(3-methylphenyl)butanamide
CID 669985
4-(2,2-dimethylbutanoylamino)-2-hydroxybenzoic acid
CID 55102860
N-(4-amino-2,5-dimethylphenyl)-2,2-dimethylbutanamide
CID 103144437
N-(4-carbamothioylphenyl)-2,2-dimethylbutanamide
CID 55103346

Frequently Asked Questions

What is the IUPAC name of N-[3-amino-4-[(2-hydroxy-2-methylpropyl)amino]phenyl]-2,2-dimethylbutanamide?
The IUPAC name of N-[3-amino-4-[(2-hydroxy-2-methylpropyl)amino]phenyl]-2,2-dimethylbutanamide (CID 89411567) is N-[3-amino-4-[(2-hydroxy-2-methylpropyl)amino]phenyl]-2,2-dimethylbutanamide.
What is the SMILES notation for N-[3-amino-4-[(2-hydroxy-2-methylpropyl)amino]phenyl]-2,2-dimethylbutanamide?
The canonical SMILES for N-[3-amino-4-[(2-hydroxy-2-methylpropyl)amino]phenyl]-2,2-dimethylbutanamide is CCC(C)(C)C(=O)Nc1ccc(NCC(C)(C)O)c(N)c1.
What is the InChIKey of N-[3-amino-4-[(2-hydroxy-2-methylpropyl)amino]phenyl]-2,2-dimethylbutanamide?
The InChIKey is SZNLMEHZNSONEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O2/c1-6-15(2,3)14(20)19-11-7-8-13(12(17)9-11)18-10-16(4,5)21/h7-9,18,21H,6,10,17H2,1-5H3,(H,19,20).
What are the key properties of N-[3-amino-4-[(2-hydroxy-2-methylpropyl)amino]phenyl]-2,2-dimethylbutanamide?
N-[3-amino-4-[(2-hydroxy-2-methylpropyl)amino]phenyl]-2,2-dimethylbutanamide has a molecular weight of 293.41 g/mol, XLogP of 2.83, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-amino-4-[(2-hydroxy-2-methylpropyl)amino]phenyl]-2,2-dimethylbutanamide is sourced from PubChem (CID 89411567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).