2-amino-5-methyl-N-(oxan-4-ylmethyl)benzamide

C14H20N2O2 — CID 63707297

IUPAC2-amino-5-methyl-N-(oxan-4-ylmethyl)benzamide
SMILESCc1ccc(N)c(C(=O)NCC2CCOCC2)c1
InChIInChI=1S/C14H20N2O2/c1-10-2-3-13(15)12(8-10)14(17)16-9-11-4-6-18-7-5-11/h2-3,8,11H,4-7,9,15H2,1H3,(H,16,17)
InChIKeyIQGVAWGUJWFFNZ-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.73
Rot. Bonds3

About 2-amino-5-methyl-N-(oxan-4-ylmethyl)benzamide

2-amino-5-methyl-N-(oxan-4-ylmethyl)benzamide (PubChem CID 63707297) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 2-amino-5-methyl-N-(oxan-4-ylmethyl)benzamide.

Molecular Properties

Compound Name2-amino-5-methyl-N-(oxan-4-ylmethyl)benzamide
PubChem CID63707297
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name2-amino-5-methyl-N-(oxan-4-ylmethyl)benzamide
SMILESCc1ccc(N)c(C(=O)NCC2CCOCC2)c1
InChIInChI=1S/C14H20N2O2/c1-10-2-3-13(15)12(8-10)14(17)16-9-11-4-6-18-7-5-11/h2-3,8,11H,4-7,9,15H2,1H3,(H,16,17)
InChIKeyIQGVAWGUJWFFNZ-UHFFFAOYSA-N
XLogP1.73
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-N-(oxan-4-ylmethyl)benzamide
CID 110736358
5-amino-2-methoxy-N-(oxan-4-ylmethyl)benzamide
CID 55226609
2-amino-N-(cyclopentylmethyl)-5-hydroxybenzamide
CID 107074042
2-amino-N-(2-cyclopentylethyl)-5-methylbenzamide
CID 62073408
[2-(cyclopropylmethylamino)-2-oxoethyl] 2-amino-5-methylbenzoate
CID 60768796
2-amino-N-[(1,4-dimethylpiperazin-2-yl)methyl]-5-methylbenzamide
CID 63897503
4-amino-3-nitro-N-(oxan-4-ylmethyl)benzamide
CID 62350667
N-[(4-aminocyclohexyl)methyl]-2-hydroxy-5-methylbenzamide
CID 106124287
2-amino-5-methyl-N-(2-methylpropyl)benzamide
CID 62074325
2-amino-5-methyl-N-(2-methyl-2-morpholin-4-ylpropyl)benzamide
CID 62073465
2-amino-5-methyl-N-[(5-methylfuran-2-yl)methyl]benzamide
CID 62523939
2-amino-N-(1-cyclopropylpropan-2-yl)-5-methylbenzamide
CID 63993821

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-methyl-N-(oxan-4-ylmethyl)benzamide?
The IUPAC name of 2-amino-5-methyl-N-(oxan-4-ylmethyl)benzamide (CID 63707297) is 2-amino-5-methyl-N-(oxan-4-ylmethyl)benzamide.
What is the SMILES notation for 2-amino-5-methyl-N-(oxan-4-ylmethyl)benzamide?
The canonical SMILES for 2-amino-5-methyl-N-(oxan-4-ylmethyl)benzamide is Cc1ccc(N)c(C(=O)NCC2CCOCC2)c1.
What is the InChIKey of 2-amino-5-methyl-N-(oxan-4-ylmethyl)benzamide?
The InChIKey is IQGVAWGUJWFFNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-10-2-3-13(15)12(8-10)14(17)16-9-11-4-6-18-7-5-11/h2-3,8,11H,4-7,9,15H2,1H3,(H,16,17).
What are the key properties of 2-amino-5-methyl-N-(oxan-4-ylmethyl)benzamide?
2-amino-5-methyl-N-(oxan-4-ylmethyl)benzamide has a molecular weight of 248.33 g/mol, XLogP of 1.73, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-methyl-N-(oxan-4-ylmethyl)benzamide is sourced from PubChem (CID 63707297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).