4-methyl-4-phenyl-N-(3,4,5-trimethoxyphenyl)pentanamide

C21H27NO4 — CID 110356184

IUPAC4-methyl-4-phenyl-N-(3,4,5-trimethoxyphenyl)pentanamide
SMILESCOc1cc(NC(=O)CCC(C)(C)c2ccccc2)cc(OC)c1OC
InChIInChI=1S/C21H27NO4/c1-21(2,15-9-7-6-8-10-15)12-11-19(23)22-16-13-17(24-3)20(26-5)18(14-16)25-4/h6-10,13-14H,11-12H2,1-5H3,(H,22,23)
InChIKeyGENAUALSXBJQCI-UHFFFAOYSA-N
MW357.45 g/mol
LogP4.41
Rot. Bonds8

About 4-methyl-4-phenyl-N-(3,4,5-trimethoxyphenyl)pentanamide

4-methyl-4-phenyl-N-(3,4,5-trimethoxyphenyl)pentanamide (PubChem CID 110356184) has the molecular formula C21H27NO4 and a molecular weight of 357.45 g/mol. Its IUPAC name is 4-methyl-4-phenyl-N-(3,4,5-trimethoxyphenyl)pentanamide.

Molecular Properties

Compound Name4-methyl-4-phenyl-N-(3,4,5-trimethoxyphenyl)pentanamide
PubChem CID110356184
Molecular FormulaC21H27NO4
Molecular Weight357.45 g/mol
Exact Mass357.19
IUPAC Name4-methyl-4-phenyl-N-(3,4,5-trimethoxyphenyl)pentanamide
SMILESCOc1cc(NC(=O)CCC(C)(C)c2ccccc2)cc(OC)c1OC
InChIInChI=1S/C21H27NO4/c1-21(2,15-9-7-6-8-10-15)12-11-19(23)22-16-13-17(24-3)20(26-5)18(14-16)25-4/h6-10,13-14H,11-12H2,1-5H3,(H,22,23)
InChIKeyGENAUALSXBJQCI-UHFFFAOYSA-N
XLogP4.41
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.45
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,4-dimethoxy-5-[(4-methyl-4-phenylpentanoyl)amino]benzoic acid
CID 120521326
3-phenyl-N-(3,4,5-trimethoxyphenyl)propanamide
CID 2991890
3-[4-(trifluoromethyl)anilino]-N-(3,4,5-trimethoxyphenyl)propanamide
CID 109040860
N-[3-oxo-3-(3,4,5-trimethoxyanilino)propyl]benzamide
CID 17154620
3-(tert-butylamino)-N-(3,4,5-trimethoxyphenyl)propanamide
CID 109031433
2-(2-tert-butylphenoxy)-N-(3,4,5-trimethoxyphenyl)acetamide
CID 24536655
3-(benzenesulfonamido)-N-(3,4,5-trimethoxyphenyl)propanamide
CID 17225990
3-(2-ethoxyanilino)-N-(3,4,5-trimethoxyphenyl)propanamide
CID 109039839
N-(2-tert-butylphenyl)-3-(3,4,5-trimethoxyanilino)propanamide
CID 109037292
N-(2-anilino-2-oxoethyl)-4-methyl-4-phenylpentanamide
CID 110353745
N-(4-fluorophenyl)-3-(3,4,5-trimethoxyanilino)propanamide
CID 109037688
4-(2-aminophenoxy)-N-(3,4,5-trimethoxyphenyl)butanamide
CID 84552154

Frequently Asked Questions

What is the IUPAC name of 4-methyl-4-phenyl-N-(3,4,5-trimethoxyphenyl)pentanamide?
The IUPAC name of 4-methyl-4-phenyl-N-(3,4,5-trimethoxyphenyl)pentanamide (CID 110356184) is 4-methyl-4-phenyl-N-(3,4,5-trimethoxyphenyl)pentanamide.
What is the SMILES notation for 4-methyl-4-phenyl-N-(3,4,5-trimethoxyphenyl)pentanamide?
The canonical SMILES for 4-methyl-4-phenyl-N-(3,4,5-trimethoxyphenyl)pentanamide is COc1cc(NC(=O)CCC(C)(C)c2ccccc2)cc(OC)c1OC.
What is the InChIKey of 4-methyl-4-phenyl-N-(3,4,5-trimethoxyphenyl)pentanamide?
The InChIKey is GENAUALSXBJQCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO4/c1-21(2,15-9-7-6-8-10-15)12-11-19(23)22-16-13-17(24-3)20(26-5)18(14-16)25-4/h6-10,13-14H,11-12H2,1-5H3,(H,22,23).
What are the key properties of 4-methyl-4-phenyl-N-(3,4,5-trimethoxyphenyl)pentanamide?
4-methyl-4-phenyl-N-(3,4,5-trimethoxyphenyl)pentanamide has a molecular weight of 357.45 g/mol, XLogP of 4.41, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-4-phenyl-N-(3,4,5-trimethoxyphenyl)pentanamide is sourced from PubChem (CID 110356184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).