2-[[(2S)-2-naphthalen-2-yloxybutanoyl]amino]benzamide

C21H20N2O3 — CID 92675284

IUPAC2-[[(2S)-2-naphthalen-2-yloxybutanoyl]amino]benzamide
SMILESCC[C@H](Oc1ccc2ccccc2c1)C(=O)Nc1ccccc1C(N)=O
InChIInChI=1S/C21H20N2O3/c1-2-19(21(25)23-18-10-6-5-9-17(18)20(22)24)26-16-12-11-14-7-3-4-8-15(14)13-16/h3-13,19H,2H2,1H3,(H2,22,24)(H,23,25)/t19-/m0/s1
InChIKeySXNMJDSNMXZCDC-IBGZPJMESA-N
MW348.40 g/mol
LogP3.73
Rot. Bonds6

About 2-[[(2S)-2-naphthalen-2-yloxybutanoyl]amino]benzamide

2-[[(2S)-2-naphthalen-2-yloxybutanoyl]amino]benzamide (PubChem CID 92675284) has the molecular formula C21H20N2O3 and a molecular weight of 348.40 g/mol. Its IUPAC name is 2-[[(2S)-2-naphthalen-2-yloxybutanoyl]amino]benzamide.

Molecular Properties

Compound Name2-[[(2S)-2-naphthalen-2-yloxybutanoyl]amino]benzamide
PubChem CID92675284
Molecular FormulaC21H20N2O3
Molecular Weight348.40 g/mol
Exact Mass348.15
IUPAC Name2-[[(2S)-2-naphthalen-2-yloxybutanoyl]amino]benzamide
SMILESCC[C@H](Oc1ccc2ccccc2c1)C(=O)Nc1ccccc1C(N)=O
InChIInChI=1S/C21H20N2O3/c1-2-19(21(25)23-18-10-6-5-9-17(18)20(22)24)26-16-12-11-14-7-3-4-8-15(14)13-16/h3-13,19H,2H2,1H3,(H2,22,24)(H,23,25)/t19-/m0/s1
InChIKeySXNMJDSNMXZCDC-IBGZPJMESA-N
XLogP3.73
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[(2S)-2-phenoxybutanoyl]amino]benzamide
CID 898266
2-[[(2S)-2-(3,5-dimethylphenoxy)butanoyl]amino]benzamide
CID 99133293
2-[2-(4-fluorophenoxy)butanoylamino]benzamide
CID 43906030
2-[[(2S)-2-(4-ethylphenoxy)butanoyl]amino]benzamide
CID 99133167
(2R)-2-naphthalen-2-yloxy-N-[2-(pyrrolidine-1-carbonyl)phenyl]butanamide
CID 28633196
(2S)-2-naphthalen-2-yloxy-N-[2-(pyrrolidine-1-carbonyl)phenyl]butanamide
CID 28633197
(2S)-N-(2,3-dimethylphenyl)-2-naphthalen-2-yloxybutanamide
CID 93486668
N-(3-methoxypropyl)-2-(2-naphthalen-2-yloxybutanoylamino)benzamide
CID 43909098
2-[[(2R)-2-(2-methoxyphenoxy)butanoyl]amino]benzamide
CID 99132395
(2S)-N-naphthalen-2-yl-2-naphthalen-2-yloxybutanamide
CID 99942620
2-naphthalen-2-yloxy-N-(2-phenylsulfanylphenyl)butanamide
CID 43886290
N-(2,4-dimethylphenyl)-2-naphthalen-2-yloxybutanamide
CID 53284433

Frequently Asked Questions

What is the IUPAC name of 2-[[(2S)-2-naphthalen-2-yloxybutanoyl]amino]benzamide?
The IUPAC name of 2-[[(2S)-2-naphthalen-2-yloxybutanoyl]amino]benzamide (CID 92675284) is 2-[[(2S)-2-naphthalen-2-yloxybutanoyl]amino]benzamide.
What is the SMILES notation for 2-[[(2S)-2-naphthalen-2-yloxybutanoyl]amino]benzamide?
The canonical SMILES for 2-[[(2S)-2-naphthalen-2-yloxybutanoyl]amino]benzamide is CC[C@H](Oc1ccc2ccccc2c1)C(=O)Nc1ccccc1C(N)=O.
What is the InChIKey of 2-[[(2S)-2-naphthalen-2-yloxybutanoyl]amino]benzamide?
The InChIKey is SXNMJDSNMXZCDC-IBGZPJMESA-N. The full InChI is InChI=1S/C21H20N2O3/c1-2-19(21(25)23-18-10-6-5-9-17(18)20(22)24)26-16-12-11-14-7-3-4-8-15(14)13-16/h3-13,19H,2H2,1H3,(H2,22,24)(H,23,25)/t19-/m0/s1.
What are the key properties of 2-[[(2S)-2-naphthalen-2-yloxybutanoyl]amino]benzamide?
2-[[(2S)-2-naphthalen-2-yloxybutanoyl]amino]benzamide has a molecular weight of 348.40 g/mol, XLogP of 3.73, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2S)-2-naphthalen-2-yloxybutanoyl]amino]benzamide is sourced from PubChem (CID 92675284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).