N-(2-tert-butylphenyl)-3-(2,5-dimethoxyanilino)propanamide

C21H28N2O3 — CID 109037265

IUPACN-(2-tert-butylphenyl)-3-(2,5-dimethoxyanilino)propanamide
SMILESCOc1ccc(OC)c(NCCC(=O)Nc2ccccc2C(C)(C)C)c1
InChIInChI=1S/C21H28N2O3/c1-21(2,3)16-8-6-7-9-17(16)23-20(24)12-13-22-18-14-15(25-4)10-11-19(18)26-5/h6-11,14,22H,12-13H2,1-5H3,(H,23,24)
InChIKeyCPNBUHMSDCBTRE-UHFFFAOYSA-N
MW356.47 g/mol
LogP4.44
Rot. Bonds7

About N-(2-tert-butylphenyl)-3-(2,5-dimethoxyanilino)propanamide

N-(2-tert-butylphenyl)-3-(2,5-dimethoxyanilino)propanamide (PubChem CID 109037265) has the molecular formula C21H28N2O3 and a molecular weight of 356.47 g/mol. Its IUPAC name is N-(2-tert-butylphenyl)-3-(2,5-dimethoxyanilino)propanamide.

Molecular Properties

Compound NameN-(2-tert-butylphenyl)-3-(2,5-dimethoxyanilino)propanamide
PubChem CID109037265
Molecular FormulaC21H28N2O3
Molecular Weight356.47 g/mol
Exact Mass356.21
IUPAC NameN-(2-tert-butylphenyl)-3-(2,5-dimethoxyanilino)propanamide
SMILESCOc1ccc(OC)c(NCCC(=O)Nc2ccccc2C(C)(C)C)c1
InChIInChI=1S/C21H28N2O3/c1-21(2,3)16-8-6-7-9-17(16)23-20(24)12-13-22-18-14-15(25-4)10-11-19(18)26-5/h6-11,14,22H,12-13H2,1-5H3,(H,23,24)
InChIKeyCPNBUHMSDCBTRE-UHFFFAOYSA-N
XLogP4.44
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-tert-butylphenyl)-3-(3,4,5-trimethoxyanilino)propanamide
CID 109037292
N-(2-tert-butylphenyl)-3-(3,4-dimethoxyanilino)propanamide
CID 109037267
N-(2-tert-butylphenyl)-2-(2,4-dimethoxyanilino)acetamide
CID 30567589
N-(3-chloro-2-methylphenyl)-3-(2,5-dimethoxyanilino)propanamide
CID 109038272
3-(5-chloro-2-methoxyanilino)-N-[2-(trifluoromethyl)phenyl]propanamide
CID 109039146
N-(2,6-diethylphenyl)-3-(2,5-dimethoxyanilino)propanamide
CID 109037085
3-(2-tert-butylanilino)-N-(3-chloro-4-methoxyphenyl)propanamide
CID 109037309
3-(2,5-dimethoxyanilino)-N-[(2-methylphenyl)methyl]propanamide
CID 109019183
3-(2,5-dimethoxyanilino)-N-[(4-methoxyphenyl)methyl]propanamide
CID 109022353
methyl 2-[[3-(2-tert-butylanilino)-3-oxopropyl]amino]benzoate
CID 109037275
N,N'-bis(2,5-dimethoxyphenyl)butanediamide
CID 1011774
2-(N-acetyl-2,5-dimethoxyanilino)-N-(2-tert-butylphenyl)acetamide
CID 113174598

Frequently Asked Questions

What is the IUPAC name of N-(2-tert-butylphenyl)-3-(2,5-dimethoxyanilino)propanamide?
The IUPAC name of N-(2-tert-butylphenyl)-3-(2,5-dimethoxyanilino)propanamide (CID 109037265) is N-(2-tert-butylphenyl)-3-(2,5-dimethoxyanilino)propanamide.
What is the SMILES notation for N-(2-tert-butylphenyl)-3-(2,5-dimethoxyanilino)propanamide?
The canonical SMILES for N-(2-tert-butylphenyl)-3-(2,5-dimethoxyanilino)propanamide is COc1ccc(OC)c(NCCC(=O)Nc2ccccc2C(C)(C)C)c1.
What is the InChIKey of N-(2-tert-butylphenyl)-3-(2,5-dimethoxyanilino)propanamide?
The InChIKey is CPNBUHMSDCBTRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O3/c1-21(2,3)16-8-6-7-9-17(16)23-20(24)12-13-22-18-14-15(25-4)10-11-19(18)26-5/h6-11,14,22H,12-13H2,1-5H3,(H,23,24).
What are the key properties of N-(2-tert-butylphenyl)-3-(2,5-dimethoxyanilino)propanamide?
N-(2-tert-butylphenyl)-3-(2,5-dimethoxyanilino)propanamide has a molecular weight of 356.47 g/mol, XLogP of 4.44, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-tert-butylphenyl)-3-(2,5-dimethoxyanilino)propanamide is sourced from PubChem (CID 109037265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).