4-tert-butyl-N-[3-(2-naphthalen-2-yloxybutanoylamino)phenyl]benzamide

C31H32N2O3 — CID 46770841

IUPAC4-tert-butyl-N-[3-(2-naphthalen-2-yloxybutanoylamino)phenyl]benzamide
SMILESCCC(Oc1ccc2ccccc2c1)C(=O)Nc1cccc(NC(=O)c2ccc(C(C)(C)C)cc2)c1
InChIInChI=1S/C31H32N2O3/c1-5-28(36-27-18-15-21-9-6-7-10-23(21)19-27)30(35)33-26-12-8-11-25(20-26)32-29(34)22-13-16-24(17-14-22)31(2,3)4/h6-20,28H,5H2,1-4H3,(H,32,34)(H,33,35)
InChIKeySDIKOTKRMGXVNW-UHFFFAOYSA-N
MW480.61 g/mol
LogP7.19
Rot. Bonds7

About 4-tert-butyl-N-[3-(2-naphthalen-2-yloxybutanoylamino)phenyl]benzamide

4-tert-butyl-N-[3-(2-naphthalen-2-yloxybutanoylamino)phenyl]benzamide (PubChem CID 46770841) has the molecular formula C31H32N2O3 and a molecular weight of 480.61 g/mol. Its IUPAC name is 4-tert-butyl-N-[3-(2-naphthalen-2-yloxybutanoylamino)phenyl]benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-[3-(2-naphthalen-2-yloxybutanoylamino)phenyl]benzamide
PubChem CID46770841
Molecular FormulaC31H32N2O3
Molecular Weight480.61 g/mol
Exact Mass480.24
IUPAC Name4-tert-butyl-N-[3-(2-naphthalen-2-yloxybutanoylamino)phenyl]benzamide
SMILESCCC(Oc1ccc2ccccc2c1)C(=O)Nc1cccc(NC(=O)c2ccc(C(C)(C)C)cc2)c1
InChIInChI=1S/C31H32N2O3/c1-5-28(36-27-18-15-21-9-6-7-10-23(21)19-27)30(35)33-26-12-8-11-25(20-26)32-29(34)22-13-16-24(17-14-22)31(2,3)4/h6-20,28H,5H2,1-4H3,(H,32,34)(H,33,35)
InChIKeySDIKOTKRMGXVNW-UHFFFAOYSA-N
XLogP7.19
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.61
LogP ≤ 57.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-tert-butyl-N-[3-[[(2R)-2-naphthalen-1-yloxybutanoyl]amino]phenyl]benzamide
CID 94027963
4-tert-butyl-N-[3-[2-(3-methylphenoxy)butanoylamino]phenyl]benzamide
CID 17232344
(2S)-N-naphthalen-2-yl-2-naphthalen-2-yloxybutanamide
CID 99942620
(2R)-N-(3-methoxyphenyl)-2-naphthalen-2-yloxybutanamide
CID 38010628
(2S)-N-(3-methoxyphenyl)-2-naphthalen-2-yloxybutanamide
CID 38010633
2-naphthalen-2-yloxy-N-[4-(trifluoromethyl)phenyl]butanamide
CID 17071471
methyl 4-[[(2R)-2-naphthalen-2-yloxybutanoyl]amino]benzoate
CID 30382427
methyl 4-(2-naphthalen-2-yloxybutanoylamino)benzoate
CID 43904604
4-tert-butyl-N-[4-[2-(2-methylphenoxy)butanoylamino]phenyl]benzamide
CID 17235025
(2R)-N-naphthalen-2-yl-2-phenoxybutanamide
CID 896831
2-(4-tert-butylphenoxy)-N-naphthalen-1-ylbutanamide
CID 132654391
N-(4-ethoxyphenyl)-2-naphthalen-2-yloxybutanamide
CID 53284524

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[3-(2-naphthalen-2-yloxybutanoylamino)phenyl]benzamide?
The IUPAC name of 4-tert-butyl-N-[3-(2-naphthalen-2-yloxybutanoylamino)phenyl]benzamide (CID 46770841) is 4-tert-butyl-N-[3-(2-naphthalen-2-yloxybutanoylamino)phenyl]benzamide.
What is the SMILES notation for 4-tert-butyl-N-[3-(2-naphthalen-2-yloxybutanoylamino)phenyl]benzamide?
The canonical SMILES for 4-tert-butyl-N-[3-(2-naphthalen-2-yloxybutanoylamino)phenyl]benzamide is CCC(Oc1ccc2ccccc2c1)C(=O)Nc1cccc(NC(=O)c2ccc(C(C)(C)C)cc2)c1.
What is the InChIKey of 4-tert-butyl-N-[3-(2-naphthalen-2-yloxybutanoylamino)phenyl]benzamide?
The InChIKey is SDIKOTKRMGXVNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H32N2O3/c1-5-28(36-27-18-15-21-9-6-7-10-23(21)19-27)30(35)33-26-12-8-11-25(20-26)32-29(34)22-13-16-24(17-14-22)31(2,3)4/h6-20,28H,5H2,1-4H3,(H,32,34)(H,33,35).
What are the key properties of 4-tert-butyl-N-[3-(2-naphthalen-2-yloxybutanoylamino)phenyl]benzamide?
4-tert-butyl-N-[3-(2-naphthalen-2-yloxybutanoylamino)phenyl]benzamide has a molecular weight of 480.61 g/mol, XLogP of 7.19, 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-naphthalen-2-yloxybutanoylamino)phenyl]benzamide is sourced from PubChem (CID 46770841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).