4-tert-butyl-N-[3-[2-(3-methylphenoxy)butanoylamino]phenyl]benzamide

C28H32N2O3 — CID 17232344

IUPAC4-tert-butyl-N-[3-[2-(3-methylphenoxy)butanoylamino]phenyl]benzamide
SMILESCCC(Oc1cccc(C)c1)C(=O)Nc1cccc(NC(=O)c2ccc(C(C)(C)C)cc2)c1
InChIInChI=1S/C28H32N2O3/c1-6-25(33-24-12-7-9-19(2)17-24)27(32)30-23-11-8-10-22(18-23)29-26(31)20-13-15-21(16-14-20)28(3,4)5/h7-18,25H,6H2,1-5H3,(H,29,31)(H,30,32)
InChIKeySDLGSPIDNZTRTR-UHFFFAOYSA-N
MW444.58 g/mol
LogP6.34
Rot. Bonds7

About 4-tert-butyl-N-[3-[2-(3-methylphenoxy)butanoylamino]phenyl]benzamide

4-tert-butyl-N-[3-[2-(3-methylphenoxy)butanoylamino]phenyl]benzamide (PubChem CID 17232344) has the molecular formula C28H32N2O3 and a molecular weight of 444.58 g/mol. Its IUPAC name is 4-tert-butyl-N-[3-[2-(3-methylphenoxy)butanoylamino]phenyl]benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-[3-[2-(3-methylphenoxy)butanoylamino]phenyl]benzamide
PubChem CID17232344
Molecular FormulaC28H32N2O3
Molecular Weight444.58 g/mol
Exact Mass444.24
IUPAC Name4-tert-butyl-N-[3-[2-(3-methylphenoxy)butanoylamino]phenyl]benzamide
SMILESCCC(Oc1cccc(C)c1)C(=O)Nc1cccc(NC(=O)c2ccc(C(C)(C)C)cc2)c1
InChIInChI=1S/C28H32N2O3/c1-6-25(33-24-12-7-9-19(2)17-24)27(32)30-23-11-8-10-22(18-23)29-26(31)20-13-15-21(16-14-20)28(3,4)5/h7-18,25H,6H2,1-5H3,(H,29,31)(H,30,32)
InChIKeySDLGSPIDNZTRTR-UHFFFAOYSA-N
XLogP6.34
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.58
LogP ≤ 56.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-tert-butyl-N-[3-(2-naphthalen-2-yloxybutanoylamino)phenyl]benzamide
CID 46770841
N-[4-[2-(3-methylphenoxy)butanoylamino]phenyl]benzamide
CID 17235402
2-(3-methylphenoxy)-N-[3-(2-methylpropanoylamino)phenyl]butanamide
CID 17189216
4-tert-butyl-N-[3-[[(2R)-2-naphthalen-1-yloxybutanoyl]amino]phenyl]benzamide
CID 94027963
4-tert-butyl-N-[4-[2-(3-methylphenoxy)propanoylamino]phenyl]benzamide
CID 17235023
N-(3-chloro-4-fluorophenyl)-3-[2-(3-methylphenoxy)butanoylamino]benzamide
CID 43877932
4-methyl-N-[3-(1-oxo-1-phenylbutan-2-yl)oxyphenyl]benzamide
CID 19645089
(2S)-2-(3-chlorophenoxy)-N-(3-methylphenyl)butanamide
CID 92671807
2-(3-methylphenoxy)-N-[4-[4-[2-(3-methylphenoxy)butanoylamino]phenoxy]phenyl]butanamide
CID 4929418
4-tert-butyl-N-[4-[2-(2-methylphenoxy)butanoylamino]phenyl]benzamide
CID 17235025
N-(3,4-difluorophenyl)-2-(3-methylphenoxy)butanamide
CID 43905460
(2S)-2-(3-methylphenoxy)-N-[4-(propanoylamino)phenyl]butanamide
CID 42579555

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[3-[2-(3-methylphenoxy)butanoylamino]phenyl]benzamide?
The IUPAC name of 4-tert-butyl-N-[3-[2-(3-methylphenoxy)butanoylamino]phenyl]benzamide (CID 17232344) is 4-tert-butyl-N-[3-[2-(3-methylphenoxy)butanoylamino]phenyl]benzamide.
What is the SMILES notation for 4-tert-butyl-N-[3-[2-(3-methylphenoxy)butanoylamino]phenyl]benzamide?
The canonical SMILES for 4-tert-butyl-N-[3-[2-(3-methylphenoxy)butanoylamino]phenyl]benzamide is CCC(Oc1cccc(C)c1)C(=O)Nc1cccc(NC(=O)c2ccc(C(C)(C)C)cc2)c1.
What is the InChIKey of 4-tert-butyl-N-[3-[2-(3-methylphenoxy)butanoylamino]phenyl]benzamide?
The InChIKey is SDLGSPIDNZTRTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N2O3/c1-6-25(33-24-12-7-9-19(2)17-24)27(32)30-23-11-8-10-22(18-23)29-26(31)20-13-15-21(16-14-20)28(3,4)5/h7-18,25H,6H2,1-5H3,(H,29,31)(H,30,32).
What are the key properties of 4-tert-butyl-N-[3-[2-(3-methylphenoxy)butanoylamino]phenyl]benzamide?
4-tert-butyl-N-[3-[2-(3-methylphenoxy)butanoylamino]phenyl]benzamide has a molecular weight of 444.58 g/mol, XLogP of 6.34, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[3-[2-(3-methylphenoxy)butanoylamino]phenyl]benzamide is sourced from PubChem (CID 17232344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).