N-(5-tert-butyl-2-methoxyphenyl)-3-phenoxypropanamide

C20H25NO3 — CID 4856932

IUPACN-(5-tert-butyl-2-methoxyphenyl)-3-phenoxypropanamide
SMILESCOc1ccc(C(C)(C)C)cc1NC(=O)CCOc1ccccc1
InChIInChI=1S/C20H25NO3/c1-20(2,3)15-10-11-18(23-4)17(14-15)21-19(22)12-13-24-16-8-6-5-7-9-16/h5-11,14H,12-13H2,1-4H3,(H,21,22)
InChIKeyOKGQUYYBDNNFNN-UHFFFAOYSA-N
MW327.42 g/mol
LogP4.40
Rot. Bonds6

About N-(5-tert-butyl-2-methoxyphenyl)-3-phenoxypropanamide

N-(5-tert-butyl-2-methoxyphenyl)-3-phenoxypropanamide (PubChem CID 4856932) has the molecular formula C20H25NO3 and a molecular weight of 327.42 g/mol. Its IUPAC name is N-(5-tert-butyl-2-methoxyphenyl)-3-phenoxypropanamide.

Molecular Properties

Compound NameN-(5-tert-butyl-2-methoxyphenyl)-3-phenoxypropanamide
PubChem CID4856932
Molecular FormulaC20H25NO3
Molecular Weight327.42 g/mol
Exact Mass327.18
IUPAC NameN-(5-tert-butyl-2-methoxyphenyl)-3-phenoxypropanamide
SMILESCOc1ccc(C(C)(C)C)cc1NC(=O)CCOc1ccccc1
InChIInChI=1S/C20H25NO3/c1-20(2,3)15-10-11-18(23-4)17(14-15)21-19(22)12-13-24-16-8-6-5-7-9-16/h5-11,14H,12-13H2,1-4H3,(H,21,22)
InChIKeyOKGQUYYBDNNFNN-UHFFFAOYSA-N
XLogP4.40
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.42
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,5-dimethoxyphenyl)-3-(4-methoxyphenoxy)propanamide
CID 17034633
methyl 4-(5-tert-butyl-2-methoxyanilino)-4-oxobutanoate
CID 110776706
N-(4-tert-butylphenyl)-3-phenoxypropanamide
CID 7658805
N-(5-tert-butyl-2-methoxyphenyl)-3,3-diphenylpropanamide
CID 2457700
N-(5-tert-butyl-2-methoxyphenyl)-2-methoxyacetamide
CID 24657024
N-(5-tert-butyl-2-methoxyphenyl)-3-cyanopropanamide
CID 115173479
N-[5-(4-formylpiperazin-1-yl)-2-methoxyphenyl]-3-phenoxypropanamide
CID 110428691
N-(5-tert-butyl-2-methoxyphenyl)-2-(naphthalen-1-ylamino)acetamide
CID 2456629
N-[2-methoxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]-3-(4-methoxyphenoxy)propanamide
CID 24635935
N-[4-(5-chloro-2-methoxyanilino)phenyl]-3-phenoxypropanamide
CID 112987250
N-[2,5-dimethoxy-4-[3-(3-methylphenoxy)propanoylamino]phenyl]benzamide
CID 2604010
N-(5-tert-butyl-2-methoxyphenyl)-2-(3,4-dimethylphenoxy)acetamide
CID 16546420

Frequently Asked Questions

What is the IUPAC name of N-(5-tert-butyl-2-methoxyphenyl)-3-phenoxypropanamide?
The IUPAC name of N-(5-tert-butyl-2-methoxyphenyl)-3-phenoxypropanamide (CID 4856932) is N-(5-tert-butyl-2-methoxyphenyl)-3-phenoxypropanamide.
What is the SMILES notation for N-(5-tert-butyl-2-methoxyphenyl)-3-phenoxypropanamide?
The canonical SMILES for N-(5-tert-butyl-2-methoxyphenyl)-3-phenoxypropanamide is COc1ccc(C(C)(C)C)cc1NC(=O)CCOc1ccccc1.
What is the InChIKey of N-(5-tert-butyl-2-methoxyphenyl)-3-phenoxypropanamide?
The InChIKey is OKGQUYYBDNNFNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO3/c1-20(2,3)15-10-11-18(23-4)17(14-15)21-19(22)12-13-24-16-8-6-5-7-9-16/h5-11,14H,12-13H2,1-4H3,(H,21,22).
What are the key properties of N-(5-tert-butyl-2-methoxyphenyl)-3-phenoxypropanamide?
N-(5-tert-butyl-2-methoxyphenyl)-3-phenoxypropanamide has a molecular weight of 327.42 g/mol, XLogP of 4.40, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-tert-butyl-2-methoxyphenyl)-3-phenoxypropanamide is sourced from PubChem (CID 4856932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).