3-amino-N-(2,2-dimethyloxan-4-yl)-2-methylbenzamide

C15H22N2O2 — CID 83027416

IUPAC3-amino-N-(2,2-dimethyloxan-4-yl)-2-methylbenzamide
SMILESCc1c(N)cccc1C(=O)NC1CCOC(C)(C)C1
InChIInChI=1S/C15H22N2O2/c1-10-12(5-4-6-13(10)16)14(18)17-11-7-8-19-15(2,3)9-11/h4-6,11H,7-9,16H2,1-3H3,(H,17,18)
InChIKeyXVDMVBSPCPFYRE-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.26
Rot. Bonds2

About 3-amino-N-(2,2-dimethyloxan-4-yl)-2-methylbenzamide

3-amino-N-(2,2-dimethyloxan-4-yl)-2-methylbenzamide (PubChem CID 83027416) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 3-amino-N-(2,2-dimethyloxan-4-yl)-2-methylbenzamide.

Molecular Properties

Compound Name3-amino-N-(2,2-dimethyloxan-4-yl)-2-methylbenzamide
PubChem CID83027416
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name3-amino-N-(2,2-dimethyloxan-4-yl)-2-methylbenzamide
SMILESCc1c(N)cccc1C(=O)NC1CCOC(C)(C)C1
InChIInChI=1S/C15H22N2O2/c1-10-12(5-4-6-13(10)16)14(18)17-11-7-8-19-15(2,3)9-11/h4-6,11H,7-9,16H2,1-3H3,(H,17,18)
InChIKeyXVDMVBSPCPFYRE-UHFFFAOYSA-N
XLogP2.26
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2,2-dimethyloxan-4-yl)-2-methylbenzamide?
The IUPAC name of 3-amino-N-(2,2-dimethyloxan-4-yl)-2-methylbenzamide (CID 83027416) is 3-amino-N-(2,2-dimethyloxan-4-yl)-2-methylbenzamide.
What is the SMILES notation for 3-amino-N-(2,2-dimethyloxan-4-yl)-2-methylbenzamide?
The canonical SMILES for 3-amino-N-(2,2-dimethyloxan-4-yl)-2-methylbenzamide is Cc1c(N)cccc1C(=O)NC1CCOC(C)(C)C1.
What is the InChIKey of 3-amino-N-(2,2-dimethyloxan-4-yl)-2-methylbenzamide?
The InChIKey is XVDMVBSPCPFYRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-10-12(5-4-6-13(10)16)14(18)17-11-7-8-19-15(2,3)9-11/h4-6,11H,7-9,16H2,1-3H3,(H,17,18).
What are the key properties of 3-amino-N-(2,2-dimethyloxan-4-yl)-2-methylbenzamide?
3-amino-N-(2,2-dimethyloxan-4-yl)-2-methylbenzamide has a molecular weight of 262.35 g/mol, XLogP of 2.26, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2,2-dimethyloxan-4-yl)-2-methylbenzamide is sourced from PubChem (CID 83027416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).