N-butan-2-yl-2-[2-(2,6-dimethylphenoxy)propanoylamino]benzamide

C22H28N2O3 — CID 17151271

IUPACN-butan-2-yl-2-[2-(2,6-dimethylphenoxy)propanoylamino]benzamide
SMILESCCC(C)NC(=O)c1ccccc1NC(=O)C(C)Oc1c(C)cccc1C
InChIInChI=1S/C22H28N2O3/c1-6-16(4)23-22(26)18-12-7-8-13-19(18)24-21(25)17(5)27-20-14(2)10-9-11-15(20)3/h7-13,16-17H,6H2,1-5H3,(H,23,26)(H,24,25)
InChIKeyMZHUXVSFBJHQSF-UHFFFAOYSA-N
MW368.48 g/mol
LogP4.24
Rot. Bonds7

About N-butan-2-yl-2-[2-(2,6-dimethylphenoxy)propanoylamino]benzamide

N-butan-2-yl-2-[2-(2,6-dimethylphenoxy)propanoylamino]benzamide (PubChem CID 17151271) has the molecular formula C22H28N2O3 and a molecular weight of 368.48 g/mol. Its IUPAC name is N-butan-2-yl-2-[2-(2,6-dimethylphenoxy)propanoylamino]benzamide.

Molecular Properties

Compound NameN-butan-2-yl-2-[2-(2,6-dimethylphenoxy)propanoylamino]benzamide
PubChem CID17151271
Molecular FormulaC22H28N2O3
Molecular Weight368.48 g/mol
Exact Mass368.21
IUPAC NameN-butan-2-yl-2-[2-(2,6-dimethylphenoxy)propanoylamino]benzamide
SMILESCCC(C)NC(=O)c1ccccc1NC(=O)C(C)Oc1c(C)cccc1C
InChIInChI=1S/C22H28N2O3/c1-6-16(4)23-22(26)18-12-7-8-13-19(18)24-21(25)17(5)27-20-14(2)10-9-11-15(20)3/h7-13,16-17H,6H2,1-5H3,(H,23,26)(H,24,25)
InChIKeyMZHUXVSFBJHQSF-UHFFFAOYSA-N
XLogP4.24
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[(2S)-2-(2,6-dimethylphenoxy)propanoyl]amino]-N-ethylbenzamide
CID 9297715
N-[(2S)-butan-2-yl]-2-[[(2S)-2-(3-methylphenoxy)propanoyl]amino]benzamide
CID 26074772
N-[(2S)-butan-2-yl]-2-[[(2R)-2-(2,4-dimethylphenoxy)propanoyl]amino]benzamide
CID 9173023
N-butan-2-yl-2-[2-(3-methoxyphenoxy)propanoylamino]benzamide
CID 43877103
2-(2,6-dimethylphenoxy)-N-[2-(pyrrolidine-1-carbonyl)phenyl]propanamide
CID 4958532
N-cyclohexyl-2-[[(2S)-2-(2,6-dimethylphenoxy)propanoyl]amino]benzamide
CID 9297462
N-butan-2-yl-2-[2-(3,5-dimethylphenoxy)butanoylamino]benzamide
CID 132657473
(2S)-N-(2-chlorophenyl)-2-(2,6-dimethylphenoxy)propanamide
CID 9297165
N-butan-2-yl-2-[[2-(2-methylphenoxy)acetyl]amino]benzamide
CID 17151196
N-[2-[[(2R)-butan-2-yl]carbamoyl]phenyl]-2,4,5-trimethylbenzamide
CID 100708807
2-(2,6-dimethylphenoxy)-N-[2-(4-methylpiperidine-1-carbonyl)phenyl]propanamide
CID 4958548
N-butan-2-yl-2-[2-(3-chlorophenoxy)butanoylamino]benzamide
CID 46772085

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-[2-(2,6-dimethylphenoxy)propanoylamino]benzamide?
The IUPAC name of N-butan-2-yl-2-[2-(2,6-dimethylphenoxy)propanoylamino]benzamide (CID 17151271) is N-butan-2-yl-2-[2-(2,6-dimethylphenoxy)propanoylamino]benzamide.
What is the SMILES notation for N-butan-2-yl-2-[2-(2,6-dimethylphenoxy)propanoylamino]benzamide?
The canonical SMILES for N-butan-2-yl-2-[2-(2,6-dimethylphenoxy)propanoylamino]benzamide is CCC(C)NC(=O)c1ccccc1NC(=O)C(C)Oc1c(C)cccc1C.
What is the InChIKey of N-butan-2-yl-2-[2-(2,6-dimethylphenoxy)propanoylamino]benzamide?
The InChIKey is MZHUXVSFBJHQSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O3/c1-6-16(4)23-22(26)18-12-7-8-13-19(18)24-21(25)17(5)27-20-14(2)10-9-11-15(20)3/h7-13,16-17H,6H2,1-5H3,(H,23,26)(H,24,25).
What are the key properties of N-butan-2-yl-2-[2-(2,6-dimethylphenoxy)propanoylamino]benzamide?
N-butan-2-yl-2-[2-(2,6-dimethylphenoxy)propanoylamino]benzamide has a molecular weight of 368.48 g/mol, XLogP of 4.24, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-[2-(2,6-dimethylphenoxy)propanoylamino]benzamide is sourced from PubChem (CID 17151271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).