N-(2-hydroxy-2-methylpropyl)-2-(4-methoxyanilino)-N-methylbenzamide

C19H24N2O3 — CID 111663042

IUPACN-(2-hydroxy-2-methylpropyl)-2-(4-methoxyanilino)-N-methylbenzamide
SMILESCOc1ccc(Nc2ccccc2C(=O)N(C)CC(C)(C)O)cc1
InChIInChI=1S/C19H24N2O3/c1-19(2,23)13-21(3)18(22)16-7-5-6-8-17(16)20-14-9-11-15(24-4)12-10-14/h5-12,20,23H,13H2,1-4H3
InChIKeyVAHNJMIQDWCGAI-UHFFFAOYSA-N
MW328.41 g/mol
LogP3.28
Rot. Bonds6

About N-(2-hydroxy-2-methylpropyl)-2-(4-methoxyanilino)-N-methylbenzamide

N-(2-hydroxy-2-methylpropyl)-2-(4-methoxyanilino)-N-methylbenzamide (PubChem CID 111663042) has the molecular formula C19H24N2O3 and a molecular weight of 328.41 g/mol. Its IUPAC name is N-(2-hydroxy-2-methylpropyl)-2-(4-methoxyanilino)-N-methylbenzamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-methylpropyl)-2-(4-methoxyanilino)-N-methylbenzamide
PubChem CID111663042
Molecular FormulaC19H24N2O3
Molecular Weight328.41 g/mol
Exact Mass328.18
IUPAC NameN-(2-hydroxy-2-methylpropyl)-2-(4-methoxyanilino)-N-methylbenzamide
SMILESCOc1ccc(Nc2ccccc2C(=O)N(C)CC(C)(C)O)cc1
InChIInChI=1S/C19H24N2O3/c1-19(2,23)13-21(3)18(22)16-7-5-6-8-17(16)20-14-9-11-15(24-4)12-10-14/h5-12,20,23H,13H2,1-4H3
InChIKeyVAHNJMIQDWCGAI-UHFFFAOYSA-N
XLogP3.28
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-methoxyanilino)-N-[2-(4-methoxyphenoxy)ethyl]-N-methylbenzamide
CID 55720016
N-(2-cyanoethyl)-2-(4-methoxyanilino)-N-methylbenzamide
CID 60609840
bis[2-(4-methoxyanilino)phenyl]methanone
CID 141301142
2-anilino-N-[3-hydroxy-2-(hydroxymethyl)-2-methylpropyl]-N-methylbenzamide
CID 110026311
ethyl 2-(4-methoxyanilino)benzoate
CID 13424427
N-[2-(3-ethynylanilino)-2-oxoethyl]-2-(4-methoxyanilino)-N-methylbenzamide
CID 55957168
2-(4-methoxyanilino)-N-[3-(methylamino)propyl]benzamide
CID 119430354
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-2-(4-methoxyanilino)benzamide
CID 55719688
propan-2-yl 2-(4-methoxyanilino)benzoate
CID 54153670
4-methoxyaniline;2-(4-methoxyanilino)benzoic acid
CID 158145987
4-[[2-(3-methoxyanilino)benzoyl]-methylamino]butanoic acid
CID 119173444
2-hydroxy-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methylbenzamide
CID 39122596

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-methylpropyl)-2-(4-methoxyanilino)-N-methylbenzamide?
The IUPAC name of N-(2-hydroxy-2-methylpropyl)-2-(4-methoxyanilino)-N-methylbenzamide (CID 111663042) is N-(2-hydroxy-2-methylpropyl)-2-(4-methoxyanilino)-N-methylbenzamide.
What is the SMILES notation for N-(2-hydroxy-2-methylpropyl)-2-(4-methoxyanilino)-N-methylbenzamide?
The canonical SMILES for N-(2-hydroxy-2-methylpropyl)-2-(4-methoxyanilino)-N-methylbenzamide is COc1ccc(Nc2ccccc2C(=O)N(C)CC(C)(C)O)cc1.
What is the InChIKey of N-(2-hydroxy-2-methylpropyl)-2-(4-methoxyanilino)-N-methylbenzamide?
The InChIKey is VAHNJMIQDWCGAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3/c1-19(2,23)13-21(3)18(22)16-7-5-6-8-17(16)20-14-9-11-15(24-4)12-10-14/h5-12,20,23H,13H2,1-4H3.
What are the key properties of N-(2-hydroxy-2-methylpropyl)-2-(4-methoxyanilino)-N-methylbenzamide?
N-(2-hydroxy-2-methylpropyl)-2-(4-methoxyanilino)-N-methylbenzamide has a molecular weight of 328.41 g/mol, XLogP of 3.28, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-methylpropyl)-2-(4-methoxyanilino)-N-methylbenzamide is sourced from PubChem (CID 111663042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).