N-[1-(2,6-dimethylanilino)-2-methyl-1-oxopropan-2-yl]-4-methoxybenzamide

C20H24N2O3 — CID 828131

IUPACN-[1-(2,6-dimethylanilino)-2-methyl-1-oxopropan-2-yl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NC(C)(C)C(=O)Nc2c(C)cccc2C)cc1
InChIInChI=1S/C20H24N2O3/c1-13-7-6-8-14(2)17(13)21-19(24)20(3,4)22-18(23)15-9-11-16(25-5)12-10-15/h6-12H,1-5H3,(H,21,24)(H,22,23)
InChIKeyRIDGPTFGNHSGPE-UHFFFAOYSA-N
MW340.42 g/mol
LogP3.46
Rot. Bonds5

About N-[1-(2,6-dimethylanilino)-2-methyl-1-oxopropan-2-yl]-4-methoxybenzamide

N-[1-(2,6-dimethylanilino)-2-methyl-1-oxopropan-2-yl]-4-methoxybenzamide (PubChem CID 828131) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is N-[1-(2,6-dimethylanilino)-2-methyl-1-oxopropan-2-yl]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[1-(2,6-dimethylanilino)-2-methyl-1-oxopropan-2-yl]-4-methoxybenzamide
PubChem CID828131
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC NameN-[1-(2,6-dimethylanilino)-2-methyl-1-oxopropan-2-yl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NC(C)(C)C(=O)Nc2c(C)cccc2C)cc1
InChIInChI=1S/C20H24N2O3/c1-13-7-6-8-14(2)17(13)21-19(24)20(3,4)22-18(23)15-9-11-16(25-5)12-10-15/h6-12H,1-5H3,(H,21,24)(H,22,23)
InChIKeyRIDGPTFGNHSGPE-UHFFFAOYSA-N
XLogP3.46
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2,6-dimethylanilino)-2-methyl-1-oxopropan-2-yl]-4-methoxybenzamide?
The IUPAC name of N-[1-(2,6-dimethylanilino)-2-methyl-1-oxopropan-2-yl]-4-methoxybenzamide (CID 828131) is N-[1-(2,6-dimethylanilino)-2-methyl-1-oxopropan-2-yl]-4-methoxybenzamide.
What is the SMILES notation for N-[1-(2,6-dimethylanilino)-2-methyl-1-oxopropan-2-yl]-4-methoxybenzamide?
The canonical SMILES for N-[1-(2,6-dimethylanilino)-2-methyl-1-oxopropan-2-yl]-4-methoxybenzamide is COc1ccc(C(=O)NC(C)(C)C(=O)Nc2c(C)cccc2C)cc1.
What is the InChIKey of N-[1-(2,6-dimethylanilino)-2-methyl-1-oxopropan-2-yl]-4-methoxybenzamide?
The InChIKey is RIDGPTFGNHSGPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3/c1-13-7-6-8-14(2)17(13)21-19(24)20(3,4)22-18(23)15-9-11-16(25-5)12-10-15/h6-12H,1-5H3,(H,21,24)(H,22,23).
What are the key properties of N-[1-(2,6-dimethylanilino)-2-methyl-1-oxopropan-2-yl]-4-methoxybenzamide?
N-[1-(2,6-dimethylanilino)-2-methyl-1-oxopropan-2-yl]-4-methoxybenzamide has a molecular weight of 340.42 g/mol, XLogP of 3.46, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,6-dimethylanilino)-2-methyl-1-oxopropan-2-yl]-4-methoxybenzamide is sourced from PubChem (CID 828131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).