N-(4-bromo-2-methylphenyl)-2-[[2-(2-methoxy-4-methylphenoxy)acetyl]-methylamino]acetamide

C20H23BrN2O4 — CID 31304940

IUPACN-(4-bromo-2-methylphenyl)-2-[[2-(2-methoxy-4-methylphenoxy)acetyl]-methylamino]acetamide
SMILESCOc1cc(C)ccc1OCC(=O)N(C)CC(=O)Nc1ccc(Br)cc1C
InChIInChI=1S/C20H23BrN2O4/c1-13-5-8-17(18(9-13)26-4)27-12-20(25)23(3)11-19(24)22-16-7-6-15(21)10-14(16)2/h5-10H,11-12H2,1-4H3,(H,22,24)
InChIKeyRETMCSCFYWCCSF-UHFFFAOYSA-N
MW435.32 g/mol
LogP3.55
Rot. Bonds7

About N-(4-bromo-2-methylphenyl)-2-[[2-(2-methoxy-4-methylphenoxy)acetyl]-methylamino]acetamide

N-(4-bromo-2-methylphenyl)-2-[[2-(2-methoxy-4-methylphenoxy)acetyl]-methylamino]acetamide (PubChem CID 31304940) has the molecular formula C20H23BrN2O4 and a molecular weight of 435.32 g/mol. Its IUPAC name is N-(4-bromo-2-methylphenyl)-2-[[2-(2-methoxy-4-methylphenoxy)acetyl]-methylamino]acetamide.

Molecular Properties

Compound NameN-(4-bromo-2-methylphenyl)-2-[[2-(2-methoxy-4-methylphenoxy)acetyl]-methylamino]acetamide
PubChem CID31304940
Molecular FormulaC20H23BrN2O4
Molecular Weight435.32 g/mol
Exact Mass434.08
IUPAC NameN-(4-bromo-2-methylphenyl)-2-[[2-(2-methoxy-4-methylphenoxy)acetyl]-methylamino]acetamide
SMILESCOc1cc(C)ccc1OCC(=O)N(C)CC(=O)Nc1ccc(Br)cc1C
InChIInChI=1S/C20H23BrN2O4/c1-13-5-8-17(18(9-13)26-4)27-12-20(25)23(3)11-19(24)22-16-7-6-15(21)10-14(16)2/h5-10H,11-12H2,1-4H3,(H,22,24)
InChIKeyRETMCSCFYWCCSF-UHFFFAOYSA-N
XLogP3.55
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.32
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-bromo-2-methylphenoxy)-N-(2-methoxy-5-methylphenyl)acetamide
CID 1363313
N-(4-chloro-2-methylphenyl)-2-(2-methoxy-4-methylphenoxy)acetamide
CID 2627654
N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-4-(2-ethoxyphenoxy)-N-methylbutanamide
CID 27761676
N-(4-bromo-2-methylphenyl)-2-[methyl-(2-methylsulfanylacetyl)amino]acetamide
CID 17407334
N-(4-bromo-2-methylphenyl)-2-[methyl-[2-(3-nitrophenoxy)acetyl]amino]acetamide
CID 55403286
2-[[2-(2,4-dimethylphenoxy)acetyl]-methylamino]-N-(4-methoxyphenyl)acetamide
CID 9438434
2-[[2-(2,5-dimethylphenoxy)acetyl]-methylamino]-N-(2,3-dimethylphenyl)acetamide
CID 8503646
N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-3-ethoxy-N-methyl-4-propoxybenzamide
CID 27761573
(E)-N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-3-(2,5-dimethoxyphenyl)-N-methylprop-2-enamide
CID 26678370
N-(4-bromo-2-methylphenyl)-3-(2-methoxy-5-methylanilino)propanamide
CID 109040066
N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-4-ethoxy-5-methoxy-N-methyl-2-nitrobenzamide
CID 35536063
2-[[2-(2,5-dimethylphenoxy)acetyl]-methylamino]-N-(2-ethylphenyl)acetamide
CID 8699567

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-methylphenyl)-2-[[2-(2-methoxy-4-methylphenoxy)acetyl]-methylamino]acetamide?
The IUPAC name of N-(4-bromo-2-methylphenyl)-2-[[2-(2-methoxy-4-methylphenoxy)acetyl]-methylamino]acetamide (CID 31304940) is N-(4-bromo-2-methylphenyl)-2-[[2-(2-methoxy-4-methylphenoxy)acetyl]-methylamino]acetamide.
What is the SMILES notation for N-(4-bromo-2-methylphenyl)-2-[[2-(2-methoxy-4-methylphenoxy)acetyl]-methylamino]acetamide?
The canonical SMILES for N-(4-bromo-2-methylphenyl)-2-[[2-(2-methoxy-4-methylphenoxy)acetyl]-methylamino]acetamide is COc1cc(C)ccc1OCC(=O)N(C)CC(=O)Nc1ccc(Br)cc1C.
What is the InChIKey of N-(4-bromo-2-methylphenyl)-2-[[2-(2-methoxy-4-methylphenoxy)acetyl]-methylamino]acetamide?
The InChIKey is RETMCSCFYWCCSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23BrN2O4/c1-13-5-8-17(18(9-13)26-4)27-12-20(25)23(3)11-19(24)22-16-7-6-15(21)10-14(16)2/h5-10H,11-12H2,1-4H3,(H,22,24).
What are the key properties of N-(4-bromo-2-methylphenyl)-2-[[2-(2-methoxy-4-methylphenoxy)acetyl]-methylamino]acetamide?
N-(4-bromo-2-methylphenyl)-2-[[2-(2-methoxy-4-methylphenoxy)acetyl]-methylamino]acetamide has a molecular weight of 435.32 g/mol, XLogP of 3.55, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-methylphenyl)-2-[[2-(2-methoxy-4-methylphenoxy)acetyl]-methylamino]acetamide is sourced from PubChem (CID 31304940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).