2-amino-6-methyl-N-(2-methyloxan-4-yl)benzamide

C14H20N2O2 — CID 114107021

IUPAC2-amino-6-methyl-N-(2-methyloxan-4-yl)benzamide
SMILESCc1cccc(N)c1C(=O)NC1CCOC(C)C1
InChIInChI=1S/C14H20N2O2/c1-9-4-3-5-12(15)13(9)14(17)16-11-6-7-18-10(2)8-11/h3-5,10-11H,6-8,15H2,1-2H3,(H,16,17)
InChIKeyRNZVMEAHPXYOTN-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.87
Rot. Bonds2

About 2-amino-6-methyl-N-(2-methyloxan-4-yl)benzamide

2-amino-6-methyl-N-(2-methyloxan-4-yl)benzamide (PubChem CID 114107021) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 2-amino-6-methyl-N-(2-methyloxan-4-yl)benzamide.

Molecular Properties

Compound Name2-amino-6-methyl-N-(2-methyloxan-4-yl)benzamide
PubChem CID114107021
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name2-amino-6-methyl-N-(2-methyloxan-4-yl)benzamide
SMILESCc1cccc(N)c1C(=O)NC1CCOC(C)C1
InChIInChI=1S/C14H20N2O2/c1-9-4-3-5-12(15)13(9)14(17)16-11-6-7-18-10(2)8-11/h3-5,10-11H,6-8,15H2,1-2H3,(H,16,17)
InChIKeyRNZVMEAHPXYOTN-UHFFFAOYSA-N
XLogP1.87
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.87
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

3-amino-2-methyl-N-(2-methyloxan-4-yl)benzamide
CID 114107036
3-bromo-2-methyl-N-(2-methyloxan-4-yl)benzamide
CID 113346376
2-amino-N-(2,3-dimethylcyclopentyl)-6-methylbenzamide
CID 64909917
4-hydroxy-N-(2-methyloxan-4-yl)benzamide
CID 103889446
1-(3-aminophenyl)-3-(2-methyloxan-4-yl)urea
CID 114108461
4-bromo-3-methyl-N-(2-methyloxan-4-yl)benzamide
CID 103888174
2-amino-N-(2-methyloxan-4-yl)-5-nitrobenzamide
CID 102977113
2-amino-N-(3-ethyl-2-methylcyclopentyl)-6-methylbenzamide
CID 64923476
3,5-dibromo-N-(2-methyloxan-4-yl)benzamide
CID 103908540
2,5-dihydroxy-N-(2-methyloxan-4-yl)benzamide
CID 114108164
ethyl 2-[(2-methyloxan-4-yl)amino]-2-phenylacetate
CID 103952268
3-bromo-5-methyl-N-(2-methyloxan-4-yl)benzamide
CID 113461518

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-methyl-N-(2-methyloxan-4-yl)benzamide?
The IUPAC name of 2-amino-6-methyl-N-(2-methyloxan-4-yl)benzamide (CID 114107021) is 2-amino-6-methyl-N-(2-methyloxan-4-yl)benzamide.
What is the SMILES notation for 2-amino-6-methyl-N-(2-methyloxan-4-yl)benzamide?
The canonical SMILES for 2-amino-6-methyl-N-(2-methyloxan-4-yl)benzamide is Cc1cccc(N)c1C(=O)NC1CCOC(C)C1.
What is the InChIKey of 2-amino-6-methyl-N-(2-methyloxan-4-yl)benzamide?
The InChIKey is RNZVMEAHPXYOTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-9-4-3-5-12(15)13(9)14(17)16-11-6-7-18-10(2)8-11/h3-5,10-11H,6-8,15H2,1-2H3,(H,16,17).
What are the key properties of 2-amino-6-methyl-N-(2-methyloxan-4-yl)benzamide?
2-amino-6-methyl-N-(2-methyloxan-4-yl)benzamide has a molecular weight of 248.33 g/mol, XLogP of 1.87, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-methyl-N-(2-methyloxan-4-yl)benzamide is sourced from PubChem (CID 114107021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).