N-butan-2-yl-2-[[2-(2,5-dimethylphenoxy)acetyl]amino]benzamide

C21H26N2O3 — CID 17151213

IUPACN-butan-2-yl-2-[[2-(2,5-dimethylphenoxy)acetyl]amino]benzamide
SMILESCCC(C)NC(=O)c1ccccc1NC(=O)COc1cc(C)ccc1C
InChIInChI=1S/C21H26N2O3/c1-5-16(4)22-21(25)17-8-6-7-9-18(17)23-20(24)13-26-19-12-14(2)10-11-15(19)3/h6-12,16H,5,13H2,1-4H3,(H,22,25)(H,23,24)
InChIKeyKZBHECYUYYTOLZ-UHFFFAOYSA-N
MW354.45 g/mol
LogP3.85
Rot. Bonds7

About N-butan-2-yl-2-[[2-(2,5-dimethylphenoxy)acetyl]amino]benzamide

N-butan-2-yl-2-[[2-(2,5-dimethylphenoxy)acetyl]amino]benzamide (PubChem CID 17151213) has the molecular formula C21H26N2O3 and a molecular weight of 354.45 g/mol. Its IUPAC name is N-butan-2-yl-2-[[2-(2,5-dimethylphenoxy)acetyl]amino]benzamide.

Molecular Properties

Compound NameN-butan-2-yl-2-[[2-(2,5-dimethylphenoxy)acetyl]amino]benzamide
PubChem CID17151213
Molecular FormulaC21H26N2O3
Molecular Weight354.45 g/mol
Exact Mass354.19
IUPAC NameN-butan-2-yl-2-[[2-(2,5-dimethylphenoxy)acetyl]amino]benzamide
SMILESCCC(C)NC(=O)c1ccccc1NC(=O)COc1cc(C)ccc1C
InChIInChI=1S/C21H26N2O3/c1-5-16(4)22-21(25)17-8-6-7-9-18(17)23-20(24)13-26-19-12-14(2)10-11-15(19)3/h6-12,16H,5,13H2,1-4H3,(H,22,25)(H,23,24)
InChIKeyKZBHECYUYYTOLZ-UHFFFAOYSA-N
XLogP3.85
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-butan-2-yl-2-[[2-(2-methylphenoxy)acetyl]amino]benzamide
CID 17151196
N-[(2S)-butan-2-yl]-2-[[2-(3,5-dimethylphenoxy)acetyl]amino]benzamide
CID 26076171
2-(2,5-dimethylphenoxy)-N-[2-[[2-(2,5-dimethylphenoxy)acetyl]amino]phenyl]acetamide
CID 1012654
N-[(2R)-butan-2-yl]-2-[[2-(3-methoxyphenoxy)acetyl]amino]benzamide
CID 94592415
2-[[2-(2,5-dimethylphenoxy)acetyl]amino]-N-(2-phenylethyl)benzamide
CID 4929756
N-[2-[[(2R)-butan-2-yl]carbamoyl]phenyl]-2,4-dimethylbenzamide
CID 34734992
N-butan-2-yl-2-[[2-(2,4-ditert-butylphenoxy)acetyl]amino]benzamide
CID 17151289
N-butan-2-yl-2-[[2-(2,4-dibromo-6-methylphenoxy)acetyl]amino]benzamide
CID 17151209
2-[[2-(2,4-dimethylphenoxy)acetyl]amino]-N-(1-phenylethyl)benzamide
CID 4935075
N-butan-2-yl-2-[[2-(4-methoxyphenoxy)acetyl]amino]benzamide
CID 2942479
N-[(2S)-butan-2-yl]-2-[[(2R)-2-(2,4-dimethylphenoxy)propanoyl]amino]benzamide
CID 9173023
2-[[2-(2,4-dimethylphenoxy)acetyl]amino]-N-ethylbenzamide
CID 4949320

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-[[2-(2,5-dimethylphenoxy)acetyl]amino]benzamide?
The IUPAC name of N-butan-2-yl-2-[[2-(2,5-dimethylphenoxy)acetyl]amino]benzamide (CID 17151213) is N-butan-2-yl-2-[[2-(2,5-dimethylphenoxy)acetyl]amino]benzamide.
What is the SMILES notation for N-butan-2-yl-2-[[2-(2,5-dimethylphenoxy)acetyl]amino]benzamide?
The canonical SMILES for N-butan-2-yl-2-[[2-(2,5-dimethylphenoxy)acetyl]amino]benzamide is CCC(C)NC(=O)c1ccccc1NC(=O)COc1cc(C)ccc1C.
What is the InChIKey of N-butan-2-yl-2-[[2-(2,5-dimethylphenoxy)acetyl]amino]benzamide?
The InChIKey is KZBHECYUYYTOLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3/c1-5-16(4)22-21(25)17-8-6-7-9-18(17)23-20(24)13-26-19-12-14(2)10-11-15(19)3/h6-12,16H,5,13H2,1-4H3,(H,22,25)(H,23,24).
What are the key properties of N-butan-2-yl-2-[[2-(2,5-dimethylphenoxy)acetyl]amino]benzamide?
N-butan-2-yl-2-[[2-(2,5-dimethylphenoxy)acetyl]amino]benzamide has a molecular weight of 354.45 g/mol, XLogP of 3.85, 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-(2,5-dimethylphenoxy)acetyl]amino]benzamide is sourced from PubChem (CID 17151213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).