2,4-diamino-N-methyl-N-(oxan-4-yl)benzamide

C13H19N3O2 — CID 61102317

IUPAC2,4-diamino-N-methyl-N-(oxan-4-yl)benzamide
SMILESCN(C(=O)c1ccc(N)cc1N)C1CCOCC1
InChIInChI=1S/C13H19N3O2/c1-16(10-4-6-18-7-5-10)13(17)11-3-2-9(14)8-12(11)15/h2-3,8,10H,4-7,14-15H2,1H3
InChIKeyJDSKGFAHNSFPCC-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.10
Rot. Bonds2

About 2,4-diamino-N-methyl-N-(oxan-4-yl)benzamide

2,4-diamino-N-methyl-N-(oxan-4-yl)benzamide (PubChem CID 61102317) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 2,4-diamino-N-methyl-N-(oxan-4-yl)benzamide.

Molecular Properties

Compound Name2,4-diamino-N-methyl-N-(oxan-4-yl)benzamide
PubChem CID61102317
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name2,4-diamino-N-methyl-N-(oxan-4-yl)benzamide
SMILESCN(C(=O)c1ccc(N)cc1N)C1CCOCC1
InChIInChI=1S/C13H19N3O2/c1-16(10-4-6-18-7-5-10)13(17)11-3-2-9(14)8-12(11)15/h2-3,8,10H,4-7,14-15H2,1H3
InChIKeyJDSKGFAHNSFPCC-UHFFFAOYSA-N
XLogP1.10
TPSA81.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,4-diamino-N-methyl-N-(1-methylpiperidin-4-yl)benzamide
CID 61092236
2-amino-N-methyl-N-(oxan-4-yl)benzamide
CID 43610601
4-amino-N,2-dimethyl-N-(oxolan-3-yl)benzamide
CID 82740644
2,4-diamino-N-methyl-N-(1-propan-2-ylpiperidin-4-yl)benzamide
CID 61105123
3-amino-2-hydroxy-N-methyl-N-(oxan-4-yl)benzamide
CID 113386399
2-amino-4-bromo-N-cyclopropyl-N-methylbenzamide
CID 79714357
2-amino-N-methyl-N-(oxolan-3-yl)benzamide;hydrochloride
CID 119945295
4-amino-2-chloro-N-cyclopropyl-N-methylbenzamide;hydrochloride
CID 119722181
4-amino-N,5-dimethyl-N-(oxan-4-yl)thiophene-2-carboxamide
CID 61103273
2-bromo-4-fluoro-N-methyl-N-(oxan-4-yl)benzamide
CID 43611231
5-amino-2-bromo-4-fluoro-N-methyl-N-(oxan-4-yl)benzamide
CID 62814554
5-amino-N-methyl-2-nitro-N-(oxolan-3-yl)benzamide
CID 82743903

Frequently Asked Questions

What is the IUPAC name of 2,4-diamino-N-methyl-N-(oxan-4-yl)benzamide?
The IUPAC name of 2,4-diamino-N-methyl-N-(oxan-4-yl)benzamide (CID 61102317) is 2,4-diamino-N-methyl-N-(oxan-4-yl)benzamide.
What is the SMILES notation for 2,4-diamino-N-methyl-N-(oxan-4-yl)benzamide?
The canonical SMILES for 2,4-diamino-N-methyl-N-(oxan-4-yl)benzamide is CN(C(=O)c1ccc(N)cc1N)C1CCOCC1.
What is the InChIKey of 2,4-diamino-N-methyl-N-(oxan-4-yl)benzamide?
The InChIKey is JDSKGFAHNSFPCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-16(10-4-6-18-7-5-10)13(17)11-3-2-9(14)8-12(11)15/h2-3,8,10H,4-7,14-15H2,1H3.
What are the key properties of 2,4-diamino-N-methyl-N-(oxan-4-yl)benzamide?
2,4-diamino-N-methyl-N-(oxan-4-yl)benzamide has a molecular weight of 249.31 g/mol, XLogP of 1.10, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diamino-N-methyl-N-(oxan-4-yl)benzamide is sourced from PubChem (CID 61102317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).