4-[[2-(4-bromo-2,6-dimethylphenoxy)acetyl]amino]-N,N-dipropylbenzamide

C23H29BrN2O3 — CID 17196160

IUPAC4-[[2-(4-bromo-2,6-dimethylphenoxy)acetyl]amino]-N,N-dipropylbenzamide
SMILESCCCN(CCC)C(=O)c1ccc(NC(=O)COc2c(C)cc(Br)cc2C)cc1
InChIInChI=1S/C23H29BrN2O3/c1-5-11-26(12-6-2)23(28)18-7-9-20(10-8-18)25-21(27)15-29-22-16(3)13-19(24)14-17(22)4/h7-10,13-14H,5-6,11-12,15H2,1-4H3,(H,25,27)
InChIKeyLDQHDTJKDHRPJT-UHFFFAOYSA-N
MW461.40 g/mol
LogP5.35
Rot. Bonds9

About 4-[[2-(4-bromo-2,6-dimethylphenoxy)acetyl]amino]-N,N-dipropylbenzamide

4-[[2-(4-bromo-2,6-dimethylphenoxy)acetyl]amino]-N,N-dipropylbenzamide (PubChem CID 17196160) has the molecular formula C23H29BrN2O3 and a molecular weight of 461.40 g/mol. Its IUPAC name is 4-[[2-(4-bromo-2,6-dimethylphenoxy)acetyl]amino]-N,N-dipropylbenzamide.

Molecular Properties

Compound Name4-[[2-(4-bromo-2,6-dimethylphenoxy)acetyl]amino]-N,N-dipropylbenzamide
PubChem CID17196160
Molecular FormulaC23H29BrN2O3
Molecular Weight461.40 g/mol
Exact Mass460.14
IUPAC Name4-[[2-(4-bromo-2,6-dimethylphenoxy)acetyl]amino]-N,N-dipropylbenzamide
SMILESCCCN(CCC)C(=O)c1ccc(NC(=O)COc2c(C)cc(Br)cc2C)cc1
InChIInChI=1S/C23H29BrN2O3/c1-5-11-26(12-6-2)23(28)18-7-9-20(10-8-18)25-21(27)15-29-22-16(3)13-19(24)14-17(22)4/h7-10,13-14H,5-6,11-12,15H2,1-4H3,(H,25,27)
InChIKeyLDQHDTJKDHRPJT-UHFFFAOYSA-N
XLogP5.35
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.40
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[2-(4-bromo-3-methylphenoxy)acetyl]amino]-N,N-dipropylbenzamide
CID 17196145
4-[2-(4-bromo-2,6-dimethylphenoxy)propanoylamino]-N,N-dipropylbenzamide
CID 17196225
ethyl 4-[[2-(4-bromo-2,6-dimethylphenoxy)acetyl]amino]benzoate
CID 3337210
butyl 4-[[2-(4-bromo-2,6-dimethylphenoxy)acetyl]amino]benzoate
CID 19175460
4-[[2-(3-methylphenoxy)acetyl]amino]-N,N-dipropylbenzamide
CID 17196123
2-(4-bromo-2,6-dimethylphenoxy)-N-(4-pentoxyphenyl)acetamide
CID 19175449
4-[[2-(2,4-dibromo-6-methylphenoxy)acetyl]amino]benzoic acid
CID 28676661
4-[[2-(4-bromoanilino)acetyl]amino]-N,N-dipropylbenzamide
CID 54811247
4-[[2-(4-bromo-2,6-dimethylphenoxy)acetyl]amino]-N-(3-methoxypropyl)benzamide
CID 17205058
2-(4-bromo-2,6-dimethylphenoxy)-N-[4-(2-methylprop-2-enoxy)phenyl]acetamide
CID 17097648
2-(4-bromo-2,6-dimethylphenoxy)-N-(3,4-dimethoxyphenyl)acetamide
CID 19175722
4-[(2-aminoacetyl)amino]-N,N-dipropylbenzamide
CID 119282805

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(4-bromo-2,6-dimethylphenoxy)acetyl]amino]-N,N-dipropylbenzamide?
The IUPAC name of 4-[[2-(4-bromo-2,6-dimethylphenoxy)acetyl]amino]-N,N-dipropylbenzamide (CID 17196160) is 4-[[2-(4-bromo-2,6-dimethylphenoxy)acetyl]amino]-N,N-dipropylbenzamide.
What is the SMILES notation for 4-[[2-(4-bromo-2,6-dimethylphenoxy)acetyl]amino]-N,N-dipropylbenzamide?
The canonical SMILES for 4-[[2-(4-bromo-2,6-dimethylphenoxy)acetyl]amino]-N,N-dipropylbenzamide is CCCN(CCC)C(=O)c1ccc(NC(=O)COc2c(C)cc(Br)cc2C)cc1.
What is the InChIKey of 4-[[2-(4-bromo-2,6-dimethylphenoxy)acetyl]amino]-N,N-dipropylbenzamide?
The InChIKey is LDQHDTJKDHRPJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29BrN2O3/c1-5-11-26(12-6-2)23(28)18-7-9-20(10-8-18)25-21(27)15-29-22-16(3)13-19(24)14-17(22)4/h7-10,13-14H,5-6,11-12,15H2,1-4H3,(H,25,27).
What are the key properties of 4-[[2-(4-bromo-2,6-dimethylphenoxy)acetyl]amino]-N,N-dipropylbenzamide?
4-[[2-(4-bromo-2,6-dimethylphenoxy)acetyl]amino]-N,N-dipropylbenzamide has a molecular weight of 461.40 g/mol, XLogP of 5.35, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(4-bromo-2,6-dimethylphenoxy)acetyl]amino]-N,N-dipropylbenzamide is sourced from PubChem (CID 17196160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).