3,5-diacetamido-N-[2-(4-tert-butyl-2,6-dimethylphenyl)ethyl]benzamide

C25H33N3O3 — CID 9488838

IUPAC3,5-diacetamido-N-[2-(4-tert-butyl-2,6-dimethylphenyl)ethyl]benzamide
SMILESCC(=O)Nc1cc(NC(C)=O)cc(C(=O)NCCc2c(C)cc(C(C)(C)C)cc2C)c1
InChIInChI=1S/C25H33N3O3/c1-15-10-20(25(5,6)7)11-16(2)23(15)8-9-26-24(31)19-12-21(27-17(3)29)14-22(13-19)28-18(4)30/h10-14H,8-9H2,1-7H3,(H,26,31)(H,27,29)(H,28,30)
InChIKeyNYCDVJPAMALIQS-UHFFFAOYSA-N
MW423.56 g/mol
LogP4.49
Rot. Bonds6

About 3,5-diacetamido-N-[2-(4-tert-butyl-2,6-dimethylphenyl)ethyl]benzamide

3,5-diacetamido-N-[2-(4-tert-butyl-2,6-dimethylphenyl)ethyl]benzamide (PubChem CID 9488838) has the molecular formula C25H33N3O3 and a molecular weight of 423.56 g/mol. Its IUPAC name is 3,5-diacetamido-N-[2-(4-tert-butyl-2,6-dimethylphenyl)ethyl]benzamide.

Molecular Properties

Compound Name3,5-diacetamido-N-[2-(4-tert-butyl-2,6-dimethylphenyl)ethyl]benzamide
PubChem CID9488838
Molecular FormulaC25H33N3O3
Molecular Weight423.56 g/mol
Exact Mass423.25
IUPAC Name3,5-diacetamido-N-[2-(4-tert-butyl-2,6-dimethylphenyl)ethyl]benzamide
SMILESCC(=O)Nc1cc(NC(C)=O)cc(C(=O)NCCc2c(C)cc(C(C)(C)C)cc2C)c1
InChIInChI=1S/C25H33N3O3/c1-15-10-20(25(5,6)7)11-16(2)23(15)8-9-26-24(31)19-12-21(27-17(3)29)14-22(13-19)28-18(4)30/h10-14H,8-9H2,1-7H3,(H,26,31)(H,27,29)(H,28,30)
InChIKeyNYCDVJPAMALIQS-UHFFFAOYSA-N
XLogP4.49
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.56
LogP ≤ 54.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3,5-diacetamido-N-pentylbenzamide
CID 18108250
3-acetamido-5-tert-butylbenzoic acid
CID 59551438
N-[2-(2,4,6-trimethylphenyl)ethyl]acetamide
CID 110788028
4-acetamido-N-[2-(2-methoxy-4,6-dimethylphenyl)ethyl]benzamide
CID 110796029
N-[2-[[2-(4-tert-butyl-2,6-dimethylphenyl)acetyl]amino]ethyl]-3,5-dichlorobenzamide
CID 2346188
2-(2-acetamidophenoxy)-N-[2-(4-tert-butyl-2,6-dimethylphenyl)ethyl]acetamide
CID 9017993
3-acetamido-N-[2-(2,5-dimethylphenyl)ethyl]benzamide
CID 110795085
2-[2-(4-tert-butyl-2,6-dimethylphenyl)ethylamino]acetamide
CID 115260120
3-[[3,5-bis[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]benzoyl]amino]propanoic acid
CID 57256242
3,5-diacetamido-N-[2-(3-methylphenoxy)ethyl]benzamide
CID 9489173
3-acetamido-N-(2-amino-2-methylpropyl)-5-(trifluoromethyl)benzamide;hydrochloride
CID 119628226
N-[2-[(3-acetamidobenzoyl)amino]ethyl]-3,4-dimethylbenzamide
CID 108541876

Frequently Asked Questions

What is the IUPAC name of 3,5-diacetamido-N-[2-(4-tert-butyl-2,6-dimethylphenyl)ethyl]benzamide?
The IUPAC name of 3,5-diacetamido-N-[2-(4-tert-butyl-2,6-dimethylphenyl)ethyl]benzamide (CID 9488838) is 3,5-diacetamido-N-[2-(4-tert-butyl-2,6-dimethylphenyl)ethyl]benzamide.
What is the SMILES notation for 3,5-diacetamido-N-[2-(4-tert-butyl-2,6-dimethylphenyl)ethyl]benzamide?
The canonical SMILES for 3,5-diacetamido-N-[2-(4-tert-butyl-2,6-dimethylphenyl)ethyl]benzamide is CC(=O)Nc1cc(NC(C)=O)cc(C(=O)NCCc2c(C)cc(C(C)(C)C)cc2C)c1.
What is the InChIKey of 3,5-diacetamido-N-[2-(4-tert-butyl-2,6-dimethylphenyl)ethyl]benzamide?
The InChIKey is NYCDVJPAMALIQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N3O3/c1-15-10-20(25(5,6)7)11-16(2)23(15)8-9-26-24(31)19-12-21(27-17(3)29)14-22(13-19)28-18(4)30/h10-14H,8-9H2,1-7H3,(H,26,31)(H,27,29)(H,28,30).
What are the key properties of 3,5-diacetamido-N-[2-(4-tert-butyl-2,6-dimethylphenyl)ethyl]benzamide?
3,5-diacetamido-N-[2-(4-tert-butyl-2,6-dimethylphenyl)ethyl]benzamide has a molecular weight of 423.56 g/mol, XLogP of 4.49, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-diacetamido-N-[2-(4-tert-butyl-2,6-dimethylphenyl)ethyl]benzamide is sourced from PubChem (CID 9488838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).