2-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-5-hydroxybenzamide

C12H17N3O3 — CID 106274538

IUPAC2-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-5-hydroxybenzamide
SMILESCC(C)(CNC(=O)c1cc(O)ccc1N)C(N)=O
InChIInChI=1S/C12H17N3O3/c1-12(2,11(14)18)6-15-10(17)8-5-7(16)3-4-9(8)13/h3-5,16H,6,13H2,1-2H3,(H2,14,18)(H,15,17)
InChIKeyFQIPVOFGMURKHB-UHFFFAOYSA-N
MW251.29 g/mol
LogP0.22
Rot. Bonds4

About 2-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-5-hydroxybenzamide

2-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-5-hydroxybenzamide (PubChem CID 106274538) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is 2-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-5-hydroxybenzamide.

Molecular Properties

Compound Name2-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-5-hydroxybenzamide
PubChem CID106274538
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC Name2-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-5-hydroxybenzamide
SMILESCC(C)(CNC(=O)c1cc(O)ccc1N)C(N)=O
InChIInChI=1S/C12H17N3O3/c1-12(2,11(14)18)6-15-10(17)8-5-7(16)3-4-9(8)13/h3-5,16H,6,13H2,1-2H3,(H2,14,18)(H,15,17)
InChIKeyFQIPVOFGMURKHB-UHFFFAOYSA-N
XLogP0.22
TPSA118.44 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 50.22
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-5-hydroxybenzamide
CID 106139474
N-(3-amino-2,2-dimethyl-3-oxopropyl)-4-hydroxybenzamide
CID 103875188
2-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-4-methoxybenzamide
CID 106276358
5-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-2-bromobenzamide
CID 114167042
2-amino-N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]-5-methylbenzamide
CID 106274732
N-(3-amino-2,2-dimethyl-3-oxopropyl)-2-bromo-4-chlorobenzamide
CID 113257326
2-amino-5-bromo-N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]benzamide
CID 106278672
2-amino-N-(2-chloroprop-2-enyl)-5-hydroxybenzamide
CID 107076012
2-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-3-fluorobenzamide
CID 106276529
2-amino-5-hydroxy-N-(4-hydroxy-2-methylbutan-2-yl)benzamide
CID 102739297
2-amino-5-hydroxy-N-(2-hydroxybutyl)benzamide
CID 107076071
2-amino-5-hydroxy-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]benzamide
CID 107075481

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-5-hydroxybenzamide?
The IUPAC name of 2-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-5-hydroxybenzamide (CID 106274538) is 2-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-5-hydroxybenzamide.
What is the SMILES notation for 2-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-5-hydroxybenzamide?
The canonical SMILES for 2-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-5-hydroxybenzamide is CC(C)(CNC(=O)c1cc(O)ccc1N)C(N)=O.
What is the InChIKey of 2-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-5-hydroxybenzamide?
The InChIKey is FQIPVOFGMURKHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3/c1-12(2,11(14)18)6-15-10(17)8-5-7(16)3-4-9(8)13/h3-5,16H,6,13H2,1-2H3,(H2,14,18)(H,15,17).
What are the key properties of 2-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-5-hydroxybenzamide?
2-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-5-hydroxybenzamide has a molecular weight of 251.29 g/mol, XLogP of 0.22, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-5-hydroxybenzamide is sourced from PubChem (CID 106274538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).