2-[[2-(4-bromo-2-tert-butylphenoxy)acetyl]amino]-N-(oxolan-2-ylmethyl)benzamide

C24H29BrN2O4 — CID 17051638

IUPAC2-[[2-(4-bromo-2-tert-butylphenoxy)acetyl]amino]-N-(oxolan-2-ylmethyl)benzamide
SMILESCC(C)(C)c1cc(Br)ccc1OCC(=O)Nc1ccccc1C(=O)NCC1CCCO1
InChIInChI=1S/C24H29BrN2O4/c1-24(2,3)19-13-16(25)10-11-21(19)31-15-22(28)27-20-9-5-4-8-18(20)23(29)26-14-17-7-6-12-30-17/h4-5,8-11,13,17H,6-7,12,14-15H2,1-3H3,(H,26,29)(H,27,28)
InChIKeyAKFHHNBXFQMDNE-UHFFFAOYSA-N
MW489.41 g/mol
LogP4.67
Rot. Bonds7

About 2-[[2-(4-bromo-2-tert-butylphenoxy)acetyl]amino]-N-(oxolan-2-ylmethyl)benzamide

2-[[2-(4-bromo-2-tert-butylphenoxy)acetyl]amino]-N-(oxolan-2-ylmethyl)benzamide (PubChem CID 17051638) has the molecular formula C24H29BrN2O4 and a molecular weight of 489.41 g/mol. Its IUPAC name is 2-[[2-(4-bromo-2-tert-butylphenoxy)acetyl]amino]-N-(oxolan-2-ylmethyl)benzamide.

Molecular Properties

Compound Name2-[[2-(4-bromo-2-tert-butylphenoxy)acetyl]amino]-N-(oxolan-2-ylmethyl)benzamide
PubChem CID17051638
Molecular FormulaC24H29BrN2O4
Molecular Weight489.41 g/mol
Exact Mass488.13
IUPAC Name2-[[2-(4-bromo-2-tert-butylphenoxy)acetyl]amino]-N-(oxolan-2-ylmethyl)benzamide
SMILESCC(C)(C)c1cc(Br)ccc1OCC(=O)Nc1ccccc1C(=O)NCC1CCCO1
InChIInChI=1S/C24H29BrN2O4/c1-24(2,3)19-13-16(25)10-11-21(19)31-15-22(28)27-20-9-5-4-8-18(20)23(29)26-14-17-7-6-12-30-17/h4-5,8-11,13,17H,6-7,12,14-15H2,1-3H3,(H,26,29)(H,27,28)
InChIKeyAKFHHNBXFQMDNE-UHFFFAOYSA-N
XLogP4.67
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.41
LogP ≤ 54.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(oxolan-2-ylmethyl)-2-[[2-(2,4,5-trimethylphenoxy)acetyl]amino]benzamide
CID 17361745
2-[(2-naphthalen-1-yloxyacetyl)amino]-N-(oxolan-2-ylmethyl)benzamide
CID 17361740
2-[[2-(2,5-dichlorophenoxy)acetyl]amino]-N-(oxolan-2-ylmethyl)benzamide
CID 46420350
2-[2-(2-fluoroanilino)-2-oxoethoxy]-N-(oxolan-2-ylmethyl)benzamide
CID 51148171
2-[(2-naphthalen-2-yloxyacetyl)amino]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 41320310
2-[[2-(2-bromo-4,6-dichlorophenoxy)acetyl]amino]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 41208350
2-(4-bromo-2-tert-butylphenoxy)-N-[2-(piperidine-1-carbonyl)phenyl]acetamide
CID 17051639
ethyl 2-[[2-(4-bromo-2-tert-butylphenoxy)acetyl]amino]benzoate
CID 19171971
3-methoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 9169667
5-bromo-2-butoxy-N-[[2-(oxolan-2-ylmethylcarbamoyl)phenyl]carbamothioyl]benzamide
CID 17350493
2-[[2-(4-bromophenyl)sulfanylacetyl]amino]-N-(oxolan-2-ylmethyl)benzamide
CID 46616572
3-bromo-4-(oxolan-2-ylmethoxy)-N-[2-(oxolan-2-ylmethylcarbamoyl)phenyl]benzamide
CID 17131771

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-bromo-2-tert-butylphenoxy)acetyl]amino]-N-(oxolan-2-ylmethyl)benzamide?
The IUPAC name of 2-[[2-(4-bromo-2-tert-butylphenoxy)acetyl]amino]-N-(oxolan-2-ylmethyl)benzamide (CID 17051638) is 2-[[2-(4-bromo-2-tert-butylphenoxy)acetyl]amino]-N-(oxolan-2-ylmethyl)benzamide.
What is the SMILES notation for 2-[[2-(4-bromo-2-tert-butylphenoxy)acetyl]amino]-N-(oxolan-2-ylmethyl)benzamide?
The canonical SMILES for 2-[[2-(4-bromo-2-tert-butylphenoxy)acetyl]amino]-N-(oxolan-2-ylmethyl)benzamide is CC(C)(C)c1cc(Br)ccc1OCC(=O)Nc1ccccc1C(=O)NCC1CCCO1.
What is the InChIKey of 2-[[2-(4-bromo-2-tert-butylphenoxy)acetyl]amino]-N-(oxolan-2-ylmethyl)benzamide?
The InChIKey is AKFHHNBXFQMDNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29BrN2O4/c1-24(2,3)19-13-16(25)10-11-21(19)31-15-22(28)27-20-9-5-4-8-18(20)23(29)26-14-17-7-6-12-30-17/h4-5,8-11,13,17H,6-7,12,14-15H2,1-3H3,(H,26,29)(H,27,28).
What are the key properties of 2-[[2-(4-bromo-2-tert-butylphenoxy)acetyl]amino]-N-(oxolan-2-ylmethyl)benzamide?
2-[[2-(4-bromo-2-tert-butylphenoxy)acetyl]amino]-N-(oxolan-2-ylmethyl)benzamide has a molecular weight of 489.41 g/mol, XLogP of 4.67, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-bromo-2-tert-butylphenoxy)acetyl]amino]-N-(oxolan-2-ylmethyl)benzamide is sourced from PubChem (CID 17051638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).