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

C18H27NO5 — CID 91835511

IUPACN-(2,2-dimethyloxan-4-yl)-2,3,4-trimethoxy-N-methylbenzamide
SMILESCOc1ccc(C(=O)N(C)C2CCOC(C)(C)C2)c(OC)c1OC
InChIInChI=1S/C18H27NO5/c1-18(2)11-12(9-10-24-18)19(3)17(20)13-7-8-14(21-4)16(23-6)15(13)22-5/h7-8,12H,9-11H2,1-6H3
InChIKeyFAFNFNROVNWWCA-UHFFFAOYSA-N
MW337.42 g/mol
LogP2.74
Rot. Bonds5

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

N-(2,2-dimethyloxan-4-yl)-2,3,4-trimethoxy-N-methylbenzamide (PubChem CID 91835511) has the molecular formula C18H27NO5 and a molecular weight of 337.42 g/mol. Its IUPAC name is N-(2,2-dimethyloxan-4-yl)-2,3,4-trimethoxy-N-methylbenzamide.

Molecular Properties

Compound NameN-(2,2-dimethyloxan-4-yl)-2,3,4-trimethoxy-N-methylbenzamide
PubChem CID91835511
Molecular FormulaC18H27NO5
Molecular Weight337.42 g/mol
Exact Mass337.19
IUPAC NameN-(2,2-dimethyloxan-4-yl)-2,3,4-trimethoxy-N-methylbenzamide
SMILESCOc1ccc(C(=O)N(C)C2CCOC(C)(C)C2)c(OC)c1OC
InChIInChI=1S/C18H27NO5/c1-18(2)11-12(9-10-24-18)19(3)17(20)13-7-8-14(21-4)16(23-6)15(13)22-5/h7-8,12H,9-11H2,1-6H3
InChIKeyFAFNFNROVNWWCA-UHFFFAOYSA-N
XLogP2.74
TPSA57.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-(2,2-dimethyloxan-4-yl)-2,3,4-trimethoxy-N-methylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethyloxan-4-yl)-2,3,4-trimethoxy-N-methylbenzamide?
The IUPAC name of N-(2,2-dimethyloxan-4-yl)-2,3,4-trimethoxy-N-methylbenzamide (CID 91835511) is N-(2,2-dimethyloxan-4-yl)-2,3,4-trimethoxy-N-methylbenzamide.
What is the SMILES notation for N-(2,2-dimethyloxan-4-yl)-2,3,4-trimethoxy-N-methylbenzamide?
The canonical SMILES for N-(2,2-dimethyloxan-4-yl)-2,3,4-trimethoxy-N-methylbenzamide is COc1ccc(C(=O)N(C)C2CCOC(C)(C)C2)c(OC)c1OC.
What is the InChIKey of N-(2,2-dimethyloxan-4-yl)-2,3,4-trimethoxy-N-methylbenzamide?
The InChIKey is FAFNFNROVNWWCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO5/c1-18(2)11-12(9-10-24-18)19(3)17(20)13-7-8-14(21-4)16(23-6)15(13)22-5/h7-8,12H,9-11H2,1-6H3.
What are the key properties of N-(2,2-dimethyloxan-4-yl)-2,3,4-trimethoxy-N-methylbenzamide?
N-(2,2-dimethyloxan-4-yl)-2,3,4-trimethoxy-N-methylbenzamide has a molecular weight of 337.42 g/mol, XLogP of 2.74, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethyloxan-4-yl)-2,3,4-trimethoxy-N-methylbenzamide is sourced from PubChem (CID 91835511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).