N-(4-bromo-2-methylphenyl)-2-[methyl-[[(7R)-5-oxo-6-oxaspiro[3.4]octan-7-yl]methyl]amino]acetamide

C18H23BrN2O3 — CID 124623598

IUPACN-(4-bromo-2-methylphenyl)-2-[methyl-[[(7R)-5-oxo-6-oxaspiro[3.4]octan-7-yl]methyl]amino]acetamide
SMILESCc1cc(Br)ccc1NC(=O)CN(C)C[C@H]1CC2(CCC2)C(=O)O1
InChIInChI=1S/C18H23BrN2O3/c1-12-8-13(19)4-5-15(12)20-16(22)11-21(2)10-14-9-18(6-3-7-18)17(23)24-14/h4-5,8,14H,3,6-7,9-11H2,1-2H3,(H,20,22)/t14-/m1/s1
InChIKeyWCJXANFNOLCRQU-CQSZACIVSA-N
MW395.30 g/mol
LogP3.11
Rot. Bonds5

About N-(4-bromo-2-methylphenyl)-2-[methyl-[[(7R)-5-oxo-6-oxaspiro[3.4]octan-7-yl]methyl]amino]acetamide

N-(4-bromo-2-methylphenyl)-2-[methyl-[[(7R)-5-oxo-6-oxaspiro[3.4]octan-7-yl]methyl]amino]acetamide (PubChem CID 124623598) has the molecular formula C18H23BrN2O3 and a molecular weight of 395.30 g/mol. Its IUPAC name is N-(4-bromo-2-methylphenyl)-2-[methyl-[[(7R)-5-oxo-6-oxaspiro[3.4]octan-7-yl]methyl]amino]acetamide.

Molecular Properties

Compound NameN-(4-bromo-2-methylphenyl)-2-[methyl-[[(7R)-5-oxo-6-oxaspiro[3.4]octan-7-yl]methyl]amino]acetamide
PubChem CID124623598
Molecular FormulaC18H23BrN2O3
Molecular Weight395.30 g/mol
Exact Mass394.09
IUPAC NameN-(4-bromo-2-methylphenyl)-2-[methyl-[[(7R)-5-oxo-6-oxaspiro[3.4]octan-7-yl]methyl]amino]acetamide
SMILESCc1cc(Br)ccc1NC(=O)CN(C)C[C@H]1CC2(CCC2)C(=O)O1
InChIInChI=1S/C18H23BrN2O3/c1-12-8-13(19)4-5-15(12)20-16(22)11-21(2)10-14-9-18(6-3-7-18)17(23)24-14/h4-5,8,14H,3,6-7,9-11H2,1-2H3,(H,20,22)/t14-/m1/s1
InChIKeyWCJXANFNOLCRQU-CQSZACIVSA-N
XLogP3.11
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.30
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-bromo-2-methylphenyl)-2-[methyl(piperidin-2-ylmethyl)amino]acetamide
CID 106635384
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2-[acetyl(cyclopropyl)amino]-N-(4-bromo-2-methylphenyl)acetamide
CID 113158463
N-(4-bromo-2-methylphenyl)-2-[methyl-[(3-methylpyrrolidin-3-yl)methyl]amino]acetamide;hydrochloride
CID 120902488
2-[[2-(4-bromo-2-methylanilino)-2-oxoethyl]-methylamino]-N-(2-methylpropyl)acetamide
CID 9303536
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CID 8790419
2-[[2-(4-bromo-2-methylanilino)-2-oxoethyl]-methylamino]-N-(4-piperidin-1-ylphenyl)acetamide
CID 46555969
2-[[2-(4-bromo-2-methylanilino)-2-oxoethyl]-methylamino]-N-(4-propan-2-ylphenyl)acetamide
CID 31378015
N-(4-bromo-2-methylphenyl)-2-[[2-[cyclohexyl(methyl)amino]acetyl]amino]acetamide
CID 17432748
2-[[2-(4-bromo-2-methylanilino)-2-oxoethyl]-methylcarbamoyl]cyclobutane-1-carboxylic acid
CID 120974436
4-[[2-[[2-(4-bromo-2-methylanilino)-2-oxoethyl]-methylamino]acetyl]amino]benzamide
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Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-methylphenyl)-2-[methyl-[[(7R)-5-oxo-6-oxaspiro[3.4]octan-7-yl]methyl]amino]acetamide?
The IUPAC name of N-(4-bromo-2-methylphenyl)-2-[methyl-[[(7R)-5-oxo-6-oxaspiro[3.4]octan-7-yl]methyl]amino]acetamide (CID 124623598) is N-(4-bromo-2-methylphenyl)-2-[methyl-[[(7R)-5-oxo-6-oxaspiro[3.4]octan-7-yl]methyl]amino]acetamide.
What is the SMILES notation for N-(4-bromo-2-methylphenyl)-2-[methyl-[[(7R)-5-oxo-6-oxaspiro[3.4]octan-7-yl]methyl]amino]acetamide?
The canonical SMILES for N-(4-bromo-2-methylphenyl)-2-[methyl-[[(7R)-5-oxo-6-oxaspiro[3.4]octan-7-yl]methyl]amino]acetamide is Cc1cc(Br)ccc1NC(=O)CN(C)C[C@H]1CC2(CCC2)C(=O)O1.
What is the InChIKey of N-(4-bromo-2-methylphenyl)-2-[methyl-[[(7R)-5-oxo-6-oxaspiro[3.4]octan-7-yl]methyl]amino]acetamide?
The InChIKey is WCJXANFNOLCRQU-CQSZACIVSA-N. The full InChI is InChI=1S/C18H23BrN2O3/c1-12-8-13(19)4-5-15(12)20-16(22)11-21(2)10-14-9-18(6-3-7-18)17(23)24-14/h4-5,8,14H,3,6-7,9-11H2,1-2H3,(H,20,22)/t14-/m1/s1.
What are the key properties of N-(4-bromo-2-methylphenyl)-2-[methyl-[[(7R)-5-oxo-6-oxaspiro[3.4]octan-7-yl]methyl]amino]acetamide?
N-(4-bromo-2-methylphenyl)-2-[methyl-[[(7R)-5-oxo-6-oxaspiro[3.4]octan-7-yl]methyl]amino]acetamide has a molecular weight of 395.30 g/mol, XLogP of 3.11, 5 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-[methyl-[[(7R)-5-oxo-6-oxaspiro[3.4]octan-7-yl]methyl]amino]acetamide is sourced from PubChem (CID 124623598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).