N-(2,2-dimethylpropyl)-N-(3-methoxy-4-methylphenyl)benzamide

C20H25NO2 — CID 70921685

IUPACN-(2,2-dimethylpropyl)-N-(3-methoxy-4-methylphenyl)benzamide
SMILESCOc1cc(N(CC(C)(C)C)C(=O)c2ccccc2)ccc1C
InChIInChI=1S/C20H25NO2/c1-15-11-12-17(13-18(15)23-5)21(14-20(2,3)4)19(22)16-9-7-6-8-10-16/h6-13H,14H2,1-5H3
InChIKeyGUPHVADJULBTBZ-UHFFFAOYSA-N
MW311.43 g/mol
LogP4.70
Rot. Bonds4

About N-(2,2-dimethylpropyl)-N-(3-methoxy-4-methylphenyl)benzamide

N-(2,2-dimethylpropyl)-N-(3-methoxy-4-methylphenyl)benzamide (PubChem CID 70921685) has the molecular formula C20H25NO2 and a molecular weight of 311.43 g/mol. Its IUPAC name is N-(2,2-dimethylpropyl)-N-(3-methoxy-4-methylphenyl)benzamide.

Molecular Properties

Compound NameN-(2,2-dimethylpropyl)-N-(3-methoxy-4-methylphenyl)benzamide
PubChem CID70921685
Molecular FormulaC20H25NO2
Molecular Weight311.43 g/mol
Exact Mass311.19
IUPAC NameN-(2,2-dimethylpropyl)-N-(3-methoxy-4-methylphenyl)benzamide
SMILESCOc1cc(N(CC(C)(C)C)C(=O)c2ccccc2)ccc1C
InChIInChI=1S/C20H25NO2/c1-15-11-12-17(13-18(15)23-5)21(14-20(2,3)4)19(22)16-9-7-6-8-10-16/h6-13H,14H2,1-5H3
InChIKeyGUPHVADJULBTBZ-UHFFFAOYSA-N
XLogP4.70
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylpropyl)-N-(3-methoxy-4-methylphenyl)benzamide?
The IUPAC name of N-(2,2-dimethylpropyl)-N-(3-methoxy-4-methylphenyl)benzamide (CID 70921685) is N-(2,2-dimethylpropyl)-N-(3-methoxy-4-methylphenyl)benzamide.
What is the SMILES notation for N-(2,2-dimethylpropyl)-N-(3-methoxy-4-methylphenyl)benzamide?
The canonical SMILES for N-(2,2-dimethylpropyl)-N-(3-methoxy-4-methylphenyl)benzamide is COc1cc(N(CC(C)(C)C)C(=O)c2ccccc2)ccc1C.
What is the InChIKey of N-(2,2-dimethylpropyl)-N-(3-methoxy-4-methylphenyl)benzamide?
The InChIKey is GUPHVADJULBTBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO2/c1-15-11-12-17(13-18(15)23-5)21(14-20(2,3)4)19(22)16-9-7-6-8-10-16/h6-13H,14H2,1-5H3.
What are the key properties of N-(2,2-dimethylpropyl)-N-(3-methoxy-4-methylphenyl)benzamide?
N-(2,2-dimethylpropyl)-N-(3-methoxy-4-methylphenyl)benzamide has a molecular weight of 311.43 g/mol, XLogP of 4.70, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylpropyl)-N-(3-methoxy-4-methylphenyl)benzamide is sourced from PubChem (CID 70921685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).