3,5-diamino-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]benzamide

C13H22N4O2 — CID 106139483

IUPAC3,5-diamino-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]benzamide
SMILESCN(C)CC(C)(O)CNC(=O)c1cc(N)cc(N)c1
InChIInChI=1S/C13H22N4O2/c1-13(19,8-17(2)3)7-16-12(18)9-4-10(14)6-11(15)5-9/h4-6,19H,7-8,14-15H2,1-3H3,(H,16,18)
InChIKeyRCNCQVNFACBYBL-UHFFFAOYSA-N
MW266.34 g/mol
LogP-0.11
Rot. Bonds5

About 3,5-diamino-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]benzamide

3,5-diamino-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]benzamide (PubChem CID 106139483) has the molecular formula C13H22N4O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is 3,5-diamino-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]benzamide.

Molecular Properties

Compound Name3,5-diamino-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]benzamide
PubChem CID106139483
Molecular FormulaC13H22N4O2
Molecular Weight266.34 g/mol
Exact Mass266.17
IUPAC Name3,5-diamino-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]benzamide
SMILESCN(C)CC(C)(O)CNC(=O)c1cc(N)cc(N)c1
InChIInChI=1S/C13H22N4O2/c1-13(19,8-17(2)3)7-16-12(18)9-4-10(14)6-11(15)5-9/h4-6,19H,7-8,14-15H2,1-3H3,(H,16,18)
InChIKeyRCNCQVNFACBYBL-UHFFFAOYSA-N
XLogP-0.11
TPSA104.61 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 5-0.11
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-5-fluorobenzamide
CID 106139452
4-bromo-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]benzamide
CID 113322189
N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-3-hydroxybenzamide
CID 110026112
2-(4-aminophenyl)-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]acetamide
CID 106139459
2-amino-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-5-hydroxybenzamide
CID 106139474
4-amino-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-1-propylpyrrole-2-carboxamide
CID 106139513
N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2,3-dihydro-1-benzofuran-5-carboxamide
CID 103839805
4-bromo-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-3-fluorobenzamide
CID 103840192
N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-3-methoxybenzamide
CID 103840032
N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2-fluoropyridine-4-carboxamide
CID 103840043
3-chloro-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-4-fluorobenzamide
CID 103840147
N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-1-benzofuran-2-carboxamide
CID 103839648

Frequently Asked Questions

What is the IUPAC name of 3,5-diamino-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]benzamide?
The IUPAC name of 3,5-diamino-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]benzamide (CID 106139483) is 3,5-diamino-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]benzamide.
What is the SMILES notation for 3,5-diamino-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]benzamide?
The canonical SMILES for 3,5-diamino-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]benzamide is CN(C)CC(C)(O)CNC(=O)c1cc(N)cc(N)c1.
What is the InChIKey of 3,5-diamino-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]benzamide?
The InChIKey is RCNCQVNFACBYBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2/c1-13(19,8-17(2)3)7-16-12(18)9-4-10(14)6-11(15)5-9/h4-6,19H,7-8,14-15H2,1-3H3,(H,16,18).
What are the key properties of 3,5-diamino-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]benzamide?
3,5-diamino-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]benzamide has a molecular weight of 266.34 g/mol, XLogP of -0.11, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-diamino-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]benzamide is sourced from PubChem (CID 106139483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).