N-(2,6-dibromo-4-methylphenyl)-2-[(2-hydroxy-2-methylpropyl)-methylamino]acetamide

C14H20Br2N2O2 — CID 78964623

IUPACN-(2,6-dibromo-4-methylphenyl)-2-[(2-hydroxy-2-methylpropyl)-methylamino]acetamide
SMILESCc1cc(Br)c(NC(=O)CN(C)CC(C)(C)O)c(Br)c1
InChIInChI=1S/C14H20Br2N2O2/c1-9-5-10(15)13(11(16)6-9)17-12(19)7-18(4)8-14(2,3)20/h5-6,20H,7-8H2,1-4H3,(H,17,19)
InChIKeyNITWNYBMTDTFEF-UHFFFAOYSA-N
MW408.13 g/mol
LogP3.16
Rot. Bonds5

About N-(2,6-dibromo-4-methylphenyl)-2-[(2-hydroxy-2-methylpropyl)-methylamino]acetamide

N-(2,6-dibromo-4-methylphenyl)-2-[(2-hydroxy-2-methylpropyl)-methylamino]acetamide (PubChem CID 78964623) has the molecular formula C14H20Br2N2O2 and a molecular weight of 408.13 g/mol. Its IUPAC name is N-(2,6-dibromo-4-methylphenyl)-2-[(2-hydroxy-2-methylpropyl)-methylamino]acetamide.

Molecular Properties

Compound NameN-(2,6-dibromo-4-methylphenyl)-2-[(2-hydroxy-2-methylpropyl)-methylamino]acetamide
PubChem CID78964623
Molecular FormulaC14H20Br2N2O2
Molecular Weight408.13 g/mol
Exact Mass405.99
IUPAC NameN-(2,6-dibromo-4-methylphenyl)-2-[(2-hydroxy-2-methylpropyl)-methylamino]acetamide
SMILESCc1cc(Br)c(NC(=O)CN(C)CC(C)(C)O)c(Br)c1
InChIInChI=1S/C14H20Br2N2O2/c1-9-5-10(15)13(11(16)6-9)17-12(19)7-18(4)8-14(2,3)20/h5-6,20H,7-8H2,1-4H3,(H,17,19)
InChIKeyNITWNYBMTDTFEF-UHFFFAOYSA-N
XLogP3.16
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.13
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-hydroxy-2-methylpropyl)-methylamino]-N-(2,4,6-tribromophenyl)acetamide
CID 79389627
N-(2-bromo-4-methylphenyl)-2-[(2-hydroxy-2-methylpropyl)-methylamino]acetamide
CID 78964436
N-(4-bromo-3-methylphenyl)-2-[(2-hydroxy-2-methylpropyl)-methylamino]acetamide
CID 78964685
2-[(4-chlorophenyl)methyl-methylamino]-N-(2,6-dibromo-4-methylphenyl)acetamide
CID 27222414
2-[[2-(2,6-dibromo-4-methylanilino)-2-oxoethyl]-ethylamino]acetic acid
CID 61012552
N-(3-fluoro-4-methylphenyl)-2-[(2-hydroxy-2-methylpropyl)-methylamino]acetamide
CID 78964620
3-bromo-N-(2,6-dibromo-4-methylphenyl)propanamide
CID 115571577
N-(2,6-dibromo-4-methylphenyl)-2,2-dimethylpropanamide
CID 60629516
2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-(2,4,6-trimethylphenyl)acetamide
CID 34162909
2-[[2-(2,6-dibromo-4-methylanilino)-2-oxoethyl]-propylamino]acetic acid
CID 61008368
N-(2,6-dibromo-4-methylphenyl)-2-[(2,3-dimethoxyphenyl)methyl-methylamino]acetamide
CID 27239909
N-(2,6-dibromo-4-methylphenyl)-2-(propan-2-ylamino)acetamide
CID 54917894

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dibromo-4-methylphenyl)-2-[(2-hydroxy-2-methylpropyl)-methylamino]acetamide?
The IUPAC name of N-(2,6-dibromo-4-methylphenyl)-2-[(2-hydroxy-2-methylpropyl)-methylamino]acetamide (CID 78964623) is N-(2,6-dibromo-4-methylphenyl)-2-[(2-hydroxy-2-methylpropyl)-methylamino]acetamide.
What is the SMILES notation for N-(2,6-dibromo-4-methylphenyl)-2-[(2-hydroxy-2-methylpropyl)-methylamino]acetamide?
The canonical SMILES for N-(2,6-dibromo-4-methylphenyl)-2-[(2-hydroxy-2-methylpropyl)-methylamino]acetamide is Cc1cc(Br)c(NC(=O)CN(C)CC(C)(C)O)c(Br)c1.
What is the InChIKey of N-(2,6-dibromo-4-methylphenyl)-2-[(2-hydroxy-2-methylpropyl)-methylamino]acetamide?
The InChIKey is NITWNYBMTDTFEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20Br2N2O2/c1-9-5-10(15)13(11(16)6-9)17-12(19)7-18(4)8-14(2,3)20/h5-6,20H,7-8H2,1-4H3,(H,17,19).
What are the key properties of N-(2,6-dibromo-4-methylphenyl)-2-[(2-hydroxy-2-methylpropyl)-methylamino]acetamide?
N-(2,6-dibromo-4-methylphenyl)-2-[(2-hydroxy-2-methylpropyl)-methylamino]acetamide has a molecular weight of 408.13 g/mol, XLogP of 3.16, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dibromo-4-methylphenyl)-2-[(2-hydroxy-2-methylpropyl)-methylamino]acetamide is sourced from PubChem (CID 78964623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).