3-(3,5-ditert-butyl-4-methylphenyl)-N-(4-methoxyphenyl)propanamide

C25H35NO2 — CID 59266075

IUPAC3-(3,5-ditert-butyl-4-methylphenyl)-N-(4-methoxyphenyl)propanamide
SMILESCOc1ccc(NC(=O)CCc2cc(C(C)(C)C)c(C)c(C(C)(C)C)c2)cc1
InChIInChI=1S/C25H35NO2/c1-17-21(24(2,3)4)15-18(16-22(17)25(5,6)7)9-14-23(27)26-19-10-12-20(28-8)13-11-19/h10-13,15-16H,9,14H2,1-8H3,(H,26,27)
InChIKeyYTUPPUZGJWWAJI-UHFFFAOYSA-N
MW381.56 g/mol
LogP6.17
Rot. Bonds5

About 3-(3,5-ditert-butyl-4-methylphenyl)-N-(4-methoxyphenyl)propanamide

3-(3,5-ditert-butyl-4-methylphenyl)-N-(4-methoxyphenyl)propanamide (PubChem CID 59266075) has the molecular formula C25H35NO2 and a molecular weight of 381.56 g/mol. Its IUPAC name is 3-(3,5-ditert-butyl-4-methylphenyl)-N-(4-methoxyphenyl)propanamide.

Molecular Properties

Compound Name3-(3,5-ditert-butyl-4-methylphenyl)-N-(4-methoxyphenyl)propanamide
PubChem CID59266075
Molecular FormulaC25H35NO2
Molecular Weight381.56 g/mol
Exact Mass381.27
IUPAC Name3-(3,5-ditert-butyl-4-methylphenyl)-N-(4-methoxyphenyl)propanamide
SMILESCOc1ccc(NC(=O)CCc2cc(C(C)(C)C)c(C)c(C(C)(C)C)c2)cc1
InChIInChI=1S/C25H35NO2/c1-17-21(24(2,3)4)15-18(16-22(17)25(5,6)7)9-14-23(27)26-19-10-12-20(28-8)13-11-19/h10-13,15-16H,9,14H2,1-8H3,(H,26,27)
InChIKeyYTUPPUZGJWWAJI-UHFFFAOYSA-N
XLogP6.17
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.56
LogP ≤ 56.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3,5-ditert-butyl-4-methylphenyl)-N-(4-octoxyphenyl)propanamide
CID 58031341
3-(3,5-ditert-butyl-4-methylphenyl)-N-(4-hydroxy-3-methylphenyl)propanamide
CID 58729892
N-[4-(chloromethyl)phenyl]-3-(4-methoxyphenyl)propanamide
CID 114299962
N-(4-chlorophenyl)-3-(3,5-dimethoxyphenyl)propanamide
CID 26688109
N-(4-tert-butylphenyl)-3-(3,4,5-trimethoxyphenyl)propanamide
CID 7914234
3-(3,5-ditert-butyl-4-hydroxyphenyl)-N-[4-(2-hydroxypropoxy)phenyl]propanamide
CID 143450502
3-(4-methoxyphenyl)-N-(4-propan-2-yloxyphenyl)propanamide
CID 19221042
3-(4-methoxyphenyl)-N-[4-(2,2,2-trifluoroethoxy)phenyl]propanamide
CID 46674282
N,N'-bis(4-methoxyphenyl)dodecanediamide
CID 5187461
2-(tert-butylamino)-N-(4-methoxyphenyl)acetamide
CID 27149891
4-tert-butyl-N-[3-[3-(4-methoxyphenyl)propanoylamino]phenyl]benzamide
CID 100591859
3-(4-methoxyphenyl)-N-(3,4,5-trimethoxyphenyl)propanamide
CID 7741638

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-ditert-butyl-4-methylphenyl)-N-(4-methoxyphenyl)propanamide?
The IUPAC name of 3-(3,5-ditert-butyl-4-methylphenyl)-N-(4-methoxyphenyl)propanamide (CID 59266075) is 3-(3,5-ditert-butyl-4-methylphenyl)-N-(4-methoxyphenyl)propanamide.
What is the SMILES notation for 3-(3,5-ditert-butyl-4-methylphenyl)-N-(4-methoxyphenyl)propanamide?
The canonical SMILES for 3-(3,5-ditert-butyl-4-methylphenyl)-N-(4-methoxyphenyl)propanamide is COc1ccc(NC(=O)CCc2cc(C(C)(C)C)c(C)c(C(C)(C)C)c2)cc1.
What is the InChIKey of 3-(3,5-ditert-butyl-4-methylphenyl)-N-(4-methoxyphenyl)propanamide?
The InChIKey is YTUPPUZGJWWAJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35NO2/c1-17-21(24(2,3)4)15-18(16-22(17)25(5,6)7)9-14-23(27)26-19-10-12-20(28-8)13-11-19/h10-13,15-16H,9,14H2,1-8H3,(H,26,27).
What are the key properties of 3-(3,5-ditert-butyl-4-methylphenyl)-N-(4-methoxyphenyl)propanamide?
3-(3,5-ditert-butyl-4-methylphenyl)-N-(4-methoxyphenyl)propanamide has a molecular weight of 381.56 g/mol, XLogP of 6.17, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-ditert-butyl-4-methylphenyl)-N-(4-methoxyphenyl)propanamide is sourced from PubChem (CID 59266075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).