N-tert-butyl-2-[[(2S)-2-(3-methoxyphenoxy)butanoyl]amino]benzamide

C22H28N2O4 — CID 92680298

IUPACN-tert-butyl-2-[[(2S)-2-(3-methoxyphenoxy)butanoyl]amino]benzamide
SMILESCC[C@H](Oc1cccc(OC)c1)C(=O)Nc1ccccc1C(=O)NC(C)(C)C
InChIInChI=1S/C22H28N2O4/c1-6-19(28-16-11-9-10-15(14-16)27-5)21(26)23-18-13-8-7-12-17(18)20(25)24-22(2,3)4/h7-14,19H,6H2,1-5H3,(H,23,26)(H,24,25)/t19-/m0/s1
InChIKeyAIQLKDREGHDYMP-IBGZPJMESA-N
MW384.48 g/mol
LogP4.02
Rot. Bonds7

About N-tert-butyl-2-[[(2S)-2-(3-methoxyphenoxy)butanoyl]amino]benzamide

N-tert-butyl-2-[[(2S)-2-(3-methoxyphenoxy)butanoyl]amino]benzamide (PubChem CID 92680298) has the molecular formula C22H28N2O4 and a molecular weight of 384.48 g/mol. Its IUPAC name is N-tert-butyl-2-[[(2S)-2-(3-methoxyphenoxy)butanoyl]amino]benzamide.

Molecular Properties

Compound NameN-tert-butyl-2-[[(2S)-2-(3-methoxyphenoxy)butanoyl]amino]benzamide
PubChem CID92680298
Molecular FormulaC22H28N2O4
Molecular Weight384.48 g/mol
Exact Mass384.20
IUPAC NameN-tert-butyl-2-[[(2S)-2-(3-methoxyphenoxy)butanoyl]amino]benzamide
SMILESCC[C@H](Oc1cccc(OC)c1)C(=O)Nc1ccccc1C(=O)NC(C)(C)C
InChIInChI=1S/C22H28N2O4/c1-6-19(28-16-11-9-10-15(14-16)27-5)21(26)23-18-13-8-7-12-17(18)20(25)24-22(2,3)4/h7-14,19H,6H2,1-5H3,(H,23,26)(H,24,25)/t19-/m0/s1
InChIKeyAIQLKDREGHDYMP-IBGZPJMESA-N
XLogP4.02
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-tert-butyl-2-[2-(3,5-dimethylphenoxy)butanoylamino]benzamide
CID 132657650
2-[2-(3-methoxyphenoxy)butanoylamino]-N-(2-methylpropyl)benzamide
CID 43909267
ethyl 2-[[(2S)-2-(3-methoxyphenoxy)butanoyl]amino]benzoate
CID 30391174
N-cyclohexyl-2-[[(2R)-2-(3-methoxyphenoxy)butanoyl]amino]benzamide
CID 94012414
(2R)-2-(3-methoxyphenoxy)-N-(2-methoxyphenyl)butanamide
CID 94027055
2-[[(2S)-2-(3-methoxyphenoxy)butanoyl]amino]-N-(pyridin-3-ylmethyl)benzamide
CID 38009731
2-(3-methoxyphenoxy)-N-[2-(piperidine-1-carbonyl)phenyl]butanamide
CID 46764443
(2S)-N-[2-(azepane-1-carbonyl)phenyl]-2-(3-methoxyphenoxy)butanamide
CID 28632970
3-[2-(3-methoxyphenoxy)butanoylamino]-2-methylbenzamide
CID 53284491
(2S)-N-(2,3-dimethylphenyl)-2-(3-methoxyphenoxy)butanamide
CID 93488485
2-(3-methoxyphenoxy)-N-[2-(morpholine-4-carbonyl)phenyl]butanamide
CID 53284266
(2R)-2-(3-methoxyphenoxy)-N-[2-(morpholine-4-carbonyl)phenyl]butanamide
CID 92672077

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[[(2S)-2-(3-methoxyphenoxy)butanoyl]amino]benzamide?
The IUPAC name of N-tert-butyl-2-[[(2S)-2-(3-methoxyphenoxy)butanoyl]amino]benzamide (CID 92680298) is N-tert-butyl-2-[[(2S)-2-(3-methoxyphenoxy)butanoyl]amino]benzamide.
What is the SMILES notation for N-tert-butyl-2-[[(2S)-2-(3-methoxyphenoxy)butanoyl]amino]benzamide?
The canonical SMILES for N-tert-butyl-2-[[(2S)-2-(3-methoxyphenoxy)butanoyl]amino]benzamide is CC[C@H](Oc1cccc(OC)c1)C(=O)Nc1ccccc1C(=O)NC(C)(C)C.
What is the InChIKey of N-tert-butyl-2-[[(2S)-2-(3-methoxyphenoxy)butanoyl]amino]benzamide?
The InChIKey is AIQLKDREGHDYMP-IBGZPJMESA-N. The full InChI is InChI=1S/C22H28N2O4/c1-6-19(28-16-11-9-10-15(14-16)27-5)21(26)23-18-13-8-7-12-17(18)20(25)24-22(2,3)4/h7-14,19H,6H2,1-5H3,(H,23,26)(H,24,25)/t19-/m0/s1.
What are the key properties of N-tert-butyl-2-[[(2S)-2-(3-methoxyphenoxy)butanoyl]amino]benzamide?
N-tert-butyl-2-[[(2S)-2-(3-methoxyphenoxy)butanoyl]amino]benzamide has a molecular weight of 384.48 g/mol, XLogP of 4.02, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[[(2S)-2-(3-methoxyphenoxy)butanoyl]amino]benzamide is sourced from PubChem (CID 92680298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).