4-tert-butyl-N-[3-[[(2R)-2-naphthalen-1-yloxybutanoyl]amino]phenyl]benzamide

C31H32N2O3 — CID 94027963

IUPAC4-tert-butyl-N-[3-[[(2R)-2-naphthalen-1-yloxybutanoyl]amino]phenyl]benzamide
SMILESCC[C@@H](Oc1cccc2ccccc12)C(=O)Nc1cccc(NC(=O)c2ccc(C(C)(C)C)cc2)c1
InChIInChI=1S/C31H32N2O3/c1-5-27(36-28-15-8-11-21-10-6-7-14-26(21)28)30(35)33-25-13-9-12-24(20-25)32-29(34)22-16-18-23(19-17-22)31(2,3)4/h6-20,27H,5H2,1-4H3,(H,32,34)(H,33,35)/t27-/m1/s1
InChIKeyZRXVZTMVQXSOOL-HHHXNRCGSA-N
MW480.61 g/mol
LogP7.19
Rot. Bonds7

About 4-tert-butyl-N-[3-[[(2R)-2-naphthalen-1-yloxybutanoyl]amino]phenyl]benzamide

4-tert-butyl-N-[3-[[(2R)-2-naphthalen-1-yloxybutanoyl]amino]phenyl]benzamide (PubChem CID 94027963) has the molecular formula C31H32N2O3 and a molecular weight of 480.61 g/mol. Its IUPAC name is 4-tert-butyl-N-[3-[[(2R)-2-naphthalen-1-yloxybutanoyl]amino]phenyl]benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-[3-[[(2R)-2-naphthalen-1-yloxybutanoyl]amino]phenyl]benzamide
PubChem CID94027963
Molecular FormulaC31H32N2O3
Molecular Weight480.61 g/mol
Exact Mass480.24
IUPAC Name4-tert-butyl-N-[3-[[(2R)-2-naphthalen-1-yloxybutanoyl]amino]phenyl]benzamide
SMILESCC[C@@H](Oc1cccc2ccccc12)C(=O)Nc1cccc(NC(=O)c2ccc(C(C)(C)C)cc2)c1
InChIInChI=1S/C31H32N2O3/c1-5-27(36-28-15-8-11-21-10-6-7-14-26(21)28)30(35)33-25-13-9-12-24(20-25)32-29(34)22-16-18-23(19-17-22)31(2,3)4/h6-20,27H,5H2,1-4H3,(H,32,34)(H,33,35)/t27-/m1/s1
InChIKeyZRXVZTMVQXSOOL-HHHXNRCGSA-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-(2-naphthalen-2-yloxybutanoylamino)phenyl]benzamide
CID 46770841
(2R)-N-(3-acetamidophenyl)-2-naphthalen-1-yloxybutanamide
CID 92671782
4-tert-butyl-N-[3-[2-(3-methylphenoxy)butanoylamino]phenyl]benzamide
CID 17232344
N-(3-fluorophenyl)-2-naphthalen-1-yloxybutanamide
CID 46770418
4-tert-butyl-N-[4-[2-(2-methylphenoxy)butanoylamino]phenyl]benzamide
CID 17235025
(2R)-N-(3,4-dimethoxyphenyl)-2-naphthalen-1-yloxybutanamide
CID 92680294
(2R)-2-naphthalen-1-yloxy-N-(3-nitrophenyl)butanamide
CID 92684735
(2R)-N-methyl-2-naphthalen-1-yloxybutanamide
CID 30388203
(2S)-N-(4-iodophenyl)-2-naphthalen-1-yloxybutanamide
CID 30396463
(2S)-N-(4-bromophenyl)-2-naphthalen-1-yloxybutanamide
CID 30387662
(2S)-N-(4-ethylphenyl)-2-naphthalen-1-yloxybutanamide
CID 92683938
(2R)-N-(3-chloro-4-methylphenyl)-2-naphthalen-1-yloxybutanamide
CID 94018722

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[3-[[(2R)-2-naphthalen-1-yloxybutanoyl]amino]phenyl]benzamide?
The IUPAC name of 4-tert-butyl-N-[3-[[(2R)-2-naphthalen-1-yloxybutanoyl]amino]phenyl]benzamide (CID 94027963) is 4-tert-butyl-N-[3-[[(2R)-2-naphthalen-1-yloxybutanoyl]amino]phenyl]benzamide.
What is the SMILES notation for 4-tert-butyl-N-[3-[[(2R)-2-naphthalen-1-yloxybutanoyl]amino]phenyl]benzamide?
The canonical SMILES for 4-tert-butyl-N-[3-[[(2R)-2-naphthalen-1-yloxybutanoyl]amino]phenyl]benzamide is CC[C@@H](Oc1cccc2ccccc12)C(=O)Nc1cccc(NC(=O)c2ccc(C(C)(C)C)cc2)c1.
What is the InChIKey of 4-tert-butyl-N-[3-[[(2R)-2-naphthalen-1-yloxybutanoyl]amino]phenyl]benzamide?
The InChIKey is ZRXVZTMVQXSOOL-HHHXNRCGSA-N. The full InChI is InChI=1S/C31H32N2O3/c1-5-27(36-28-15-8-11-21-10-6-7-14-26(21)28)30(35)33-25-13-9-12-24(20-25)32-29(34)22-16-18-23(19-17-22)31(2,3)4/h6-20,27H,5H2,1-4H3,(H,32,34)(H,33,35)/t27-/m1/s1.
What are the key properties of 4-tert-butyl-N-[3-[[(2R)-2-naphthalen-1-yloxybutanoyl]amino]phenyl]benzamide?
4-tert-butyl-N-[3-[[(2R)-2-naphthalen-1-yloxybutanoyl]amino]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-[[(2R)-2-naphthalen-1-yloxybutanoyl]amino]phenyl]benzamide is sourced from PubChem (CID 94027963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).