3,5-diamino-N-(2-hydroxy-2-methylpropyl)-N-methylbenzamide

C12H19N3O2 — CID 79384757

IUPAC3,5-diamino-N-(2-hydroxy-2-methylpropyl)-N-methylbenzamide
SMILESCN(CC(C)(C)O)C(=O)c1cc(N)cc(N)c1
InChIInChI=1S/C12H19N3O2/c1-12(2,17)7-15(3)11(16)8-4-9(13)6-10(14)5-8/h4-6,17H,7,13-14H2,1-3H3
InChIKeyVPSXPJAUPDJJCZ-UHFFFAOYSA-N
MW237.30 g/mol
LogP0.69
Rot. Bonds3

About 3,5-diamino-N-(2-hydroxy-2-methylpropyl)-N-methylbenzamide

3,5-diamino-N-(2-hydroxy-2-methylpropyl)-N-methylbenzamide (PubChem CID 79384757) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 3,5-diamino-N-(2-hydroxy-2-methylpropyl)-N-methylbenzamide.

Molecular Properties

Compound Name3,5-diamino-N-(2-hydroxy-2-methylpropyl)-N-methylbenzamide
PubChem CID79384757
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name3,5-diamino-N-(2-hydroxy-2-methylpropyl)-N-methylbenzamide
SMILESCN(CC(C)(C)O)C(=O)c1cc(N)cc(N)c1
InChIInChI=1S/C12H19N3O2/c1-12(2,17)7-15(3)11(16)8-4-9(13)6-10(14)5-8/h4-6,17H,7,13-14H2,1-3H3
InChIKeyVPSXPJAUPDJJCZ-UHFFFAOYSA-N
XLogP0.69
TPSA92.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 50.69
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

4-amino-3,5-difluoro-N-(2-hydroxy-2-methylpropyl)-N-methylbenzamide
CID 79385577
2,6-dichloro-N-(2-hydroxy-2-methylpropyl)-N-methylpyridine-4-carboxamide
CID 79390037
N-(2-hydroxy-2-methylpropyl)-N-methylbenzamide
CID 13214665
3,5-diamino-N-[2-(dimethylamino)ethyl]-N-methylbenzamide
CID 63694073
3-chloro-N-(2-hydroxy-2-methylpropyl)-N,5-dimethylbenzamide
CID 81002742
3,5-diamino-N-[2-(dimethylamino)-2-oxoethyl]-N-methylbenzamide
CID 61094798
4-amino-3-chloro-N-(2-hydroxy-2-methylpropyl)-N-methyl-5-nitrobenzamide
CID 79385580
3,5-diamino-N-benzyl-N-methylbenzamide
CID 61092300
3,5-diamino-N-methyl-N-(2-methylsulfanylethyl)benzamide
CID 112656301
N-(2-hydroxy-2-methylpropyl)-5-iodo-N-methylthiophene-3-carboxamide
CID 79601816
5-amino-N-(2-hydroxy-2-methylpropyl)-N,2,4-trimethylbenzamide
CID 102705736
3,5-diamino-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-N-methylbenzamide
CID 147585927

Frequently Asked Questions

What is the IUPAC name of 3,5-diamino-N-(2-hydroxy-2-methylpropyl)-N-methylbenzamide?
The IUPAC name of 3,5-diamino-N-(2-hydroxy-2-methylpropyl)-N-methylbenzamide (CID 79384757) is 3,5-diamino-N-(2-hydroxy-2-methylpropyl)-N-methylbenzamide.
What is the SMILES notation for 3,5-diamino-N-(2-hydroxy-2-methylpropyl)-N-methylbenzamide?
The canonical SMILES for 3,5-diamino-N-(2-hydroxy-2-methylpropyl)-N-methylbenzamide is CN(CC(C)(C)O)C(=O)c1cc(N)cc(N)c1.
What is the InChIKey of 3,5-diamino-N-(2-hydroxy-2-methylpropyl)-N-methylbenzamide?
The InChIKey is VPSXPJAUPDJJCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-12(2,17)7-15(3)11(16)8-4-9(13)6-10(14)5-8/h4-6,17H,7,13-14H2,1-3H3.
What are the key properties of 3,5-diamino-N-(2-hydroxy-2-methylpropyl)-N-methylbenzamide?
3,5-diamino-N-(2-hydroxy-2-methylpropyl)-N-methylbenzamide has a molecular weight of 237.30 g/mol, XLogP of 0.69, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-diamino-N-(2-hydroxy-2-methylpropyl)-N-methylbenzamide is sourced from PubChem (CID 79384757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).