N-tert-butyl-2-[[(2S)-2-(2-ethylphenoxy)propanoyl]amino]benzamide

C22H28N2O3 — CID 92683729

IUPACN-tert-butyl-2-[[(2S)-2-(2-ethylphenoxy)propanoyl]amino]benzamide
SMILESCCc1ccccc1O[C@@H](C)C(=O)Nc1ccccc1C(=O)NC(C)(C)C
InChIInChI=1S/C22H28N2O3/c1-6-16-11-7-10-14-19(16)27-15(2)20(25)23-18-13-9-8-12-17(18)21(26)24-22(3,4)5/h7-15H,6H2,1-5H3,(H,23,25)(H,24,26)/t15-/m0/s1
InChIKeySLNIECFHOVNDLV-HNNXBMFYSA-N
MW368.48 g/mol
LogP4.18
Rot. Bonds6

About N-tert-butyl-2-[[(2S)-2-(2-ethylphenoxy)propanoyl]amino]benzamide

N-tert-butyl-2-[[(2S)-2-(2-ethylphenoxy)propanoyl]amino]benzamide (PubChem CID 92683729) has the molecular formula C22H28N2O3 and a molecular weight of 368.48 g/mol. Its IUPAC name is N-tert-butyl-2-[[(2S)-2-(2-ethylphenoxy)propanoyl]amino]benzamide.

Molecular Properties

Compound NameN-tert-butyl-2-[[(2S)-2-(2-ethylphenoxy)propanoyl]amino]benzamide
PubChem CID92683729
Molecular FormulaC22H28N2O3
Molecular Weight368.48 g/mol
Exact Mass368.21
IUPAC NameN-tert-butyl-2-[[(2S)-2-(2-ethylphenoxy)propanoyl]amino]benzamide
SMILESCCc1ccccc1O[C@@H](C)C(=O)Nc1ccccc1C(=O)NC(C)(C)C
InChIInChI=1S/C22H28N2O3/c1-6-16-11-7-10-14-19(16)27-15(2)20(25)23-18-13-9-8-12-17(18)21(26)24-22(3,4)5/h7-15H,6H2,1-5H3,(H,23,25)(H,24,26)/t15-/m0/s1
InChIKeySLNIECFHOVNDLV-HNNXBMFYSA-N
XLogP4.18
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-tert-butyl-2-(2-phenoxypropanoylamino)benzamide
CID 4939976
ethyl 2-[[(2S)-2-(2-ethylphenoxy)propanoyl]amino]benzoate
CID 92685092
2-[[(2S)-2-aminopropanoyl]amino]-N-tert-butylbenzamide
CID 119280561
(2R)-2-(2-ethylphenoxy)-N-(2-methylsulfanylphenyl)propanamide
CID 92685232
N-(2,3-dimethylphenyl)-2-(2-ethylphenoxy)propanamide
CID 43907389
(2S)-N-(2,5-dimethylphenyl)-2-(2-ethylphenoxy)propanamide
CID 94011869
2-[[(2S)-2-(2-ethylphenoxy)propanoyl]amino]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 30380376
(2S)-N-(2,6-diethylphenyl)-2-(2-ethylphenoxy)propanamide
CID 28564810
(2S)-N-(3-chloro-2-methylphenyl)-2-(2-ethylphenoxy)propanamide
CID 92646921
(2S)-2-(2-ethylphenoxy)-N-(4-fluorophenyl)propanamide
CID 99131609
2-[2-[1-(tert-butylamino)-1-oxopropan-2-yl]oxyphenyl]acetic acid
CID 80741308
(2S)-2-(2-ethylphenoxy)-N-methylpropanamide
CID 28577058

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[[(2S)-2-(2-ethylphenoxy)propanoyl]amino]benzamide?
The IUPAC name of N-tert-butyl-2-[[(2S)-2-(2-ethylphenoxy)propanoyl]amino]benzamide (CID 92683729) is N-tert-butyl-2-[[(2S)-2-(2-ethylphenoxy)propanoyl]amino]benzamide.
What is the SMILES notation for N-tert-butyl-2-[[(2S)-2-(2-ethylphenoxy)propanoyl]amino]benzamide?
The canonical SMILES for N-tert-butyl-2-[[(2S)-2-(2-ethylphenoxy)propanoyl]amino]benzamide is CCc1ccccc1O[C@@H](C)C(=O)Nc1ccccc1C(=O)NC(C)(C)C.
What is the InChIKey of N-tert-butyl-2-[[(2S)-2-(2-ethylphenoxy)propanoyl]amino]benzamide?
The InChIKey is SLNIECFHOVNDLV-HNNXBMFYSA-N. The full InChI is InChI=1S/C22H28N2O3/c1-6-16-11-7-10-14-19(16)27-15(2)20(25)23-18-13-9-8-12-17(18)21(26)24-22(3,4)5/h7-15H,6H2,1-5H3,(H,23,25)(H,24,26)/t15-/m0/s1.
What are the key properties of N-tert-butyl-2-[[(2S)-2-(2-ethylphenoxy)propanoyl]amino]benzamide?
N-tert-butyl-2-[[(2S)-2-(2-ethylphenoxy)propanoyl]amino]benzamide has a molecular weight of 368.48 g/mol, XLogP of 4.18, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[[(2S)-2-(2-ethylphenoxy)propanoyl]amino]benzamide is sourced from PubChem (CID 92683729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).