N-(3-methoxypropyl)-2-methyl-2-(4-methylphenyl)propanamide

C15H23NO2 — CID 113198021

IUPACN-(3-methoxypropyl)-2-methyl-2-(4-methylphenyl)propanamide
SMILESCOCCCNC(=O)C(C)(C)c1ccc(C)cc1
InChIInChI=1S/C15H23NO2/c1-12-6-8-13(9-7-12)15(2,3)14(17)16-10-5-11-18-4/h6-9H,5,10-11H2,1-4H3,(H,16,17)
InChIKeyXQUNCLFQGUZAFV-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.43
Rot. Bonds6

About N-(3-methoxypropyl)-2-methyl-2-(4-methylphenyl)propanamide

N-(3-methoxypropyl)-2-methyl-2-(4-methylphenyl)propanamide (PubChem CID 113198021) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is N-(3-methoxypropyl)-2-methyl-2-(4-methylphenyl)propanamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)-2-methyl-2-(4-methylphenyl)propanamide
PubChem CID113198021
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC NameN-(3-methoxypropyl)-2-methyl-2-(4-methylphenyl)propanamide
SMILESCOCCCNC(=O)C(C)(C)c1ccc(C)cc1
InChIInChI=1S/C15H23NO2/c1-12-6-8-13(9-7-12)15(2,3)14(17)16-10-5-11-18-4/h6-9H,5,10-11H2,1-4H3,(H,16,17)
InChIKeyXQUNCLFQGUZAFV-UHFFFAOYSA-N
XLogP2.43
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(4-aminophenyl)-N-[3-(2-methoxyethoxy)propyl]-2-methylpropanamide
CID 80555633
N-[2-(4-methoxyphenyl)ethyl]-2-methyl-2-(4-methylphenyl)propanamide
CID 113198054
N-(3-methoxypropyl)-2,2-dimethylpropanamide
CID 4152468
N-(3-methoxypropyl)-2-methyl-2-thiophen-2-ylpropanamide
CID 110698390
1-(3-methoxypropyl)-3-[2-(4-methylphenyl)ethyl]urea
CID 108891008
N-(3-methoxypropyl)-2,2-dimethylbutanamide
CID 4634900
2,2-diiodo-N-(3-methoxypropyl)propanamide
CID 170194646
2-(4-aminophenyl)-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-2-methylpropanamide
CID 80555464
2-(4-aminophenyl)-N-(3-hydroxypropyl)-2-methylpropanamide
CID 68786932
2-(4-aminophenyl)-N-[3-(cyclopropylmethoxy)propyl]-2-methylpropanamide
CID 80555501
4-tert-butyl-N-[2-(3-methoxypropylamino)-2-oxoethyl]benzamide
CID 35513820
N-(2-acetamidoethyl)-2-(4-methoxyphenyl)-2-methylpropanamide
CID 110437825

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-2-methyl-2-(4-methylphenyl)propanamide?
The IUPAC name of N-(3-methoxypropyl)-2-methyl-2-(4-methylphenyl)propanamide (CID 113198021) is N-(3-methoxypropyl)-2-methyl-2-(4-methylphenyl)propanamide.
What is the SMILES notation for N-(3-methoxypropyl)-2-methyl-2-(4-methylphenyl)propanamide?
The canonical SMILES for N-(3-methoxypropyl)-2-methyl-2-(4-methylphenyl)propanamide is COCCCNC(=O)C(C)(C)c1ccc(C)cc1.
What is the InChIKey of N-(3-methoxypropyl)-2-methyl-2-(4-methylphenyl)propanamide?
The InChIKey is XQUNCLFQGUZAFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-12-6-8-13(9-7-12)15(2,3)14(17)16-10-5-11-18-4/h6-9H,5,10-11H2,1-4H3,(H,16,17).
What are the key properties of N-(3-methoxypropyl)-2-methyl-2-(4-methylphenyl)propanamide?
N-(3-methoxypropyl)-2-methyl-2-(4-methylphenyl)propanamide has a molecular weight of 249.35 g/mol, XLogP of 2.43, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-2-methyl-2-(4-methylphenyl)propanamide is sourced from PubChem (CID 113198021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).